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85619-29-0 | 6H-Pyrido[4,3-b]carbazole-1-carboxamide,5,11-dimethyl-6-(phenylmethyl)-
CAS No: 85619-29-0 Catalog No: AG00513A MDL No:
Product Description
Catalog Number:
AG00513A
Chemical Name:
6H-Pyrido[4,3-b]carbazole-1-carboxamide,5,11-dimethyl-6-(phenylmethyl)-
CAS Number:
85619-29-0
Molecular Formula:
C25H21N3O
Molecular Weight:
379.4537
IUPAC Name:
6-benzyl-5,11-dimethylpyrido[4,3-b]carbazole-1-carboxamide
InChI:
InChI=1S/C25H21N3O/c1-15-18-12-13-27-23(25(26)29)21(18)16(2)22-19-10-6-7-11-20(19)28(24(15)22)14-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H2,26,29)
InChI Key:
VODKCENRSZZLTO-UHFFFAOYSA-N
SMILES:
NC(=O)c1nccc2c1c(C)c1c(c2C)n(c2c1cccc2)Cc1ccccc1
UNII:
3VL8VB55X4
NSC Number:
320613
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.168g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.463g/mol
Monoisotopic Mass:
379.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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