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CGP-53153

CAT: 0926-ZFA28119-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-ZFA28119-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149281-19-6
Smiles
CC1=CC (=CC (=C1OC2=CC=CC3=C2N=C4N3CCCN4) C) C (=O) NC (CC (=O) O) C5=CC=CC=C5
Molecular Formula
C23H33N3O2
Molecular Weight
383.5 g/mol
Controlled
No

Chemical Information

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-cyanopropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CAS Number149281-19-6
PubChem CID9821402
IUPAC Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-cyanopropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Molecular FormulaC23H33N3O2
Molecular Weight383.5
XLogP2.4
Topological Polar Surface Area82
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity778
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C#N)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H33N3O2/c1-21(2,13-24)26-20(28)17-7-6-15-14-5-8-18-23(4,12-10-19(27)25-18)16(14)9-11-22(15,17)3/h10,12,14-18H,5-9,11H2,1-4H3,(H,25,27)(H,26,28)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
InChIKey
OESNKOKTKJVMIR-WSBQPABSSA-N
Chemical Structure
2D Structure
2D structure of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-cyanopropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CAS: 149281-19-6
CID: 9821402
Formula: C23H33N3O2
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass383.25727730
Monoisotopic Mass383.25727730
Topological Polar Surface Area82 Ų
Heavy Atom Count28
Formal Charge0
Complexity778
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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