N-[3-(4-methoxyanilino)-3-oxopropyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-[3-(4-methoxyanilino)-3-oxopropyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[3-(4-methoxyanilino)-3-oxopropyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V020-2044 |
| Compound Name: | N-[3-(4-methoxyanilino)-3-oxopropyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 475.55 |
| Molecular Formula: | C26 H29 N5 O4 |
| Smiles: | Cc1ccc(CN2CCCn3c(cc(C(NCCC(Nc4ccc(cc4)OC)=O)=O)n3)C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.291 |
| logD: | 2.291 |
| logSw: | -2.9756 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.33 |
| InChI Key: | KDQCILVLIAFRLD-UHFFFAOYSA-N |