ethyl N-[4-amino-6-(benzhydrylamino)-5-nitro-2-pyridyl]carbamate
Basic information
- CAS
38359-79-4- Standard SMILES
CCOC(=O)Nc1cc(N)c([N+](=O)[O-])c(NC(c2ccccc2)c2ccccc2)n1- InChIKey
CPMQWQVNJPXPAJ-UHFFFAOYSA-N- Molecular formula
- C21H21N5O4
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.15935417
Names & identifiers
- Preferred name
- ethyl N-[4-amino-6-(benzhydrylamino)-5-nitro-2-pyridyl]carbamate
- IUPAC
- ethyl N-[4-amino-6-(benzhydrylamino)-5-nitro-2-pyridinyl]carbamate
Names & synonyms
38359-79-4NSC95452SCHEMBL13327647DTXSID10959292ethyl N-[4-amino-6-(benzhydrylamino)-5-nitro-2-pyridyl]carbamateNSC-95452Carbamic acid, [4-amino-6-[(diphenylmethyl)amino]-5-nitro-2-pyridinyl]-, ethyl esterEthyl hydrogen {4-amino-6-[(diphenylmethyl)amino]-5-nitropyridin-2-yl}carbonimidate
Database identifiers
- CAS
38359-79-4- PubChem CID
- 262116
- DTXSID
DTXSID10959292
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 542
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Compound notes
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