5-[(3-methylphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(3-methylphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(3-methylphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-2597 |
| Compound Name: | 5-[(3-methylphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 424.55 |
| Molecular Formula: | C23 H32 N6 O2 |
| Smiles: | Cc1cccc(CN2CCCn3c(cc(C(NCCN4CCN(C)CC4)=O)n3)C2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.125 |
| logD: | 0.4575 |
| logSw: | -2.0612 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.096 |
| InChI Key: | OELOMNKTPHGTJJ-UHFFFAOYSA-N |