5-benzyl-N-(4-bromo-2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-benzyl-N-(4-bromo-2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-benzyl-N-(4-bromo-2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0180 |
| Compound Name: | 5-benzyl-N-(4-bromo-2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 453.34 |
| Molecular Formula: | C22 H21 Br N4 O2 |
| Smiles: | Cc1cc(ccc1NC(c1cc2C(N(CCCn2n1)Cc1ccccc1)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7657 |
| logD: | 3.7531 |
| logSw: | -3.8344 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.775 |
| InChI Key: | PKRINNMZPPTWIB-UHFFFAOYSA-N |