N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-ethyl-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-acetylpiperazin-1-yl)-3-oxopropyl]-N-ethyl-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-ethyl-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: | V022-5907 |
| Compound Name: | N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-ethyl-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C27 H36 N6 O4 |
| Salt: | not_available |
| Smiles: | CCN(CCC(N1CCN(CC1)C(C)=O)=O)C(c1cc2C(N(CCCn2n1)Cc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8024 |
| logD: | 0.8024 |
| logSw: | -1.6196 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.884 |
| InChI Key: | KWFYCBLCFHNQKI-UHFFFAOYSA-N |