(S)-Ethyl 2'-((2,3-dimethyl-5-((1-(4-nitrophenyl)ethyl)carbamoyl)-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-3-carboxylate

HCID 71099459
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Basic information

Standard SMILES
CCOC(=O)c1cccc(-c2ccccc2Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4ccc([N+](=O)[O-])cc4)ccc32)c1
InChIKey
YVPMJFSWMMJEHO-QHCPKHFHSA-N
Molecular formula
C35H33N3O5
Average molar mass
575.7 g/mol

Names & identifiers

Preferred name
(S)-Ethyl 2'-((2,3-dimethyl-5-((1-(4-nitrophenyl)ethyl)carbamoyl)-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-3-carboxylate
IUPAC
ethyl 3-[2-[[2,3-dimethyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoate

Names & synonyms

SCHEMBL14211085YVPMJFSWMMJEHO-QHCPKHFHSA-N(S)-Ethyl 2'-((2,3-dimethyl-5-((1-(4-nitrophenyl)ethyl)carbamoyl)-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-3-carboxylate

Database identifiers

PubChem CID
71099459

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
106 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
43

Related reactions

1 records
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Compound notes

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