N-{2-[4-(3-methoxyphenyl)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-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamide
N-{2-[4-(3-methoxyphenyl)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: | K906-3701 |
| Compound Name: | N-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamide |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C23 H27 N5 O6 S |
| Smiles: | CN(CC(N1CCN(CC1)c1cccc(c1)OC)=O)S(c1ccc2c(c1)C(NCC(N2)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1752 |
| logD: | 0.642 |
| logSw: | -2.6735 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.162 |
| InChI Key: | QPFHVBPKEGUVFT-UHFFFAOYSA-N |