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(4R,7S)Tedalinab

CAT: 0572-TRC-T357910-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T357910-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
916591-02-1
Synonyms
(4R,7S)-1-(2,4-Difluorophenyl)-N-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-4,7-methano-1H-indazole-3-carboxamide
Hazard Statement
No Data Available
Smiles
CC(C)(C)NC(=O)c1nn(c2[C@H]3CC[C@H](C3)c12)c4ccc(F)cc4F
Molecular Formula
C19H21F2N3O
Molecular Weight
345.39
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(4R,7S)Tedalinab
CAS Number916591-02-1
PubChem CID24872953
IUPAC Name(1S,7R)-N-tert-butyl-3-(2,4-difluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
Molecular FormulaC19H21F2N3O
Molecular Weight345.4
XLogP3.6
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity537
SMILES
CC(C)(C)NC(=O)C1=NN(C2=C1[C@@H]3CC[C@H]2C3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C19H21F2N3O/c1-19(2,3)22-18(25)16-15-10-4-5-11(8-10)17(15)24(23-16)14-7-6-12(20)9-13(14)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)/t10-,11+/m1/s1
InChIKey
NTPZXHMTJGOMCJ-MNOVXSKESA-N
Chemical Structure
2D Structure
2D structure of (4R,7S)Tedalinab
CAS: 916591-02-1
CID: 24872953
Formula: C19H21F2N3O
MW: 345.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass345.16526863
Monoisotopic Mass345.16526863
Topological Polar Surface Area46.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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