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Home > Indoles and Oxindole > 833430-87-8
833430-87-8 | Carbamic acid, [3-(9H-pyrido[3,4-b]indol-1-yl)phenyl]-, ethyl ester
CAS No: 833430-87-8 Catalog No: AG004STG MDL No:
Product Description
Catalog Number:
AG004STG
Chemical Name:
Carbamic acid, [3-(9H-pyrido[3,4-b]indol-1-yl)phenyl]-, ethyl ester
CAS Number:
833430-87-8
Molecular Formula:
C20H17N3O2
Molecular Weight:
331.3679
IUPAC Name:
ethyl N-[3-(9H-pyrido[3,4-b]indol-1-yl)phenyl]carbamate
InChI:
InChI=1S/C20H17N3O2/c1-2-25-20(24)22-14-7-5-6-13(12-14)18-19-16(10-11-21-18)15-8-3-4-9-17(15)23-19/h3-12,23H,2H2,1H3,(H,22,24)
InChI Key:
AQDZYCQXYSAVHC-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1cccc(c1)c1nccc2c1[nH]c1c2cccc1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.375g/mol
Monoisotopic Mass:
331.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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