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S130

CAT: 0926-KWB85222-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-KWB85222-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1160852-22-1
Smiles
CCN (CC) CCCNC (=O) C1=CN=C2C3=C1C=CC=C3C4=CC=CC=C4C2=O
Molecular Formula
C24H25N3O2
Molecular Weight
387.5 g/mol
Controlled
No

Chemical Information

CID 44128205
CAS Number1160852-22-1
PubChem CID44128205
IUPAC NameN-[3-(diethylamino)propyl]-8-oxo-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide
Molecular FormulaC24H25N3O2
Molecular Weight387.5
XLogP4
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity591
SMILES
CCN(CC)CCCNC(=O)C1=CN=C2C3=C1C=CC=C3C4=CC=CC=C4C2=O
InChI
InChI=1S/C24H25N3O2/c1-3-27(4-2)14-8-13-25-24(29)20-15-26-22-21-17(11-7-12-18(20)21)16-9-5-6-10-19(16)23(22)28/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,25,29)
InChIKey
DZUCZYXRADUTMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 44128205
CAS: 1160852-22-1
CID: 44128205
Formula: C24H25N3O2
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass387.19467705
Monoisotopic Mass387.19467705
Topological Polar Surface Area62.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity591
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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