N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamide
Chemical Structure Depiction of
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamide
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | K906-3818 |
| Compound Name: | N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamide |
| Molecular Weight: | 520.01 |
| Molecular Formula: | C23 H26 Cl N5 O5 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CN(C)S(c1ccc2c(c1)C(NCC(N2)=O)=O)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3498 |
| logD: | 1.8166 |
| logSw: | -3.524 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.318 |
| InChI Key: | MNMKAJANRNAULA-UHFFFAOYSA-N |