N-tert-butyl-4-[2-(4-methoxyphenyl)ethyl]-1-methyl-7-nitro-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-5-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-[2-(4-methoxyphenyl)ethyl]-1-methyl-7-nitro-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-5-carboxamide
N-tert-butyl-4-[2-(4-methoxyphenyl)ethyl]-1-methyl-7-nitro-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-5-carboxamide
Compound characteristics
| Compound ID: | H010-0040 |
| Compound Name: | N-tert-butyl-4-[2-(4-methoxyphenyl)ethyl]-1-methyl-7-nitro-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-5-carboxamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C24 H30 N4 O5 |
| Smiles: | CC(C)(C)NC(C1c2cc(ccc2N(C)CC(N1CCc1ccc(cc1)OC)=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6759 |
| logD: | 3.6756 |
| logSw: | -4.0093 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.506 |
| InChI Key: | PJXUCFBDYMNPOO-JOCHJYFZSA-N |