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Home > Indoles and Oxindole > 833430-86-7
833430-86-7 | Carbamic acid, [2-(9H-pyrido[3,4-b]indol-1-yl)phenyl]-, ethyl ester
CAS No: 833430-86-7 Catalog No: AG004X94 MDL No:
Product Description
Catalog Number:
AG004X94
Chemical Name:
Carbamic acid, [2-(9H-pyrido[3,4-b]indol-1-yl)phenyl]-, ethyl ester
CAS Number:
833430-86-7
Molecular Formula:
C20H17N3O2
Molecular Weight:
331.3679
IUPAC Name:
ethyl N-[2-(9H-pyrido[3,4-b]indol-1-yl)phenyl]carbamate
InChI:
InChI=1S/C20H17N3O2/c1-2-25-20(24)23-17-10-6-4-8-15(17)18-19-14(11-12-21-18)13-7-3-5-9-16(13)22-19/h3-12,22H,2H2,1H3,(H,23,24)
InChI Key:
DOMRVSCLTDVULU-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccccc1c1nccc2c1[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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