N-(3-chloro-2-methylphenyl)-5-[(3-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-chloro-2-methylphenyl)-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(3-chloro-2-methylphenyl)-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-2452 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 422.91 |
| Molecular Formula: | C23 H23 Cl N4 O2 |
| Smiles: | Cc1cccc(CN2CCCn3c(cc(C(Nc4cccc(c4C)[Cl])=O)n3)C2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4015 |
| logD: | 4.3863 |
| logSw: | -4.4208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.775 |
| InChI Key: | HMQGAFCXHXAYTA-UHFFFAOYSA-N |