N-(3-chloro-4-fluorophenyl)-5-{2-[methyl(phenyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-5-{2-[methyl(phenyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(3-chloro-4-fluorophenyl)-5-{2-[methyl(phenyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | S367-0515 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-5-{2-[methyl(phenyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 469.9 |
| Molecular Formula: | C23 H21 Cl F N5 O3 |
| Smiles: | CN(C(CN1CCCn2c(cc(C(Nc3ccc(c(c3)[Cl])F)=O)n2)C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4024 |
| logD: | 2.0435 |
| logSw: | -3.358 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.586 |
| InChI Key: | RABHOQQDYJJTNG-UHFFFAOYSA-N |