2-chloro-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(3-methylphenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
2-chloro-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(3-methylphenyl)benzene-1-sulfonamide
2-chloro-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(3-methylphenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-1006 |
| Compound Name: | 2-chloro-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-(3-methylphenyl)benzene-1-sulfonamide |
| Molecular Weight: | 458.92 |
| Molecular Formula: | C21 H19 Cl N4 O4 S |
| Smiles: | Cc1cccc(c1)NS(c1cc(ccc1[Cl])c1c(C)nn2C(CCC(Nc12)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2257 |
| logD: | 1.9406 |
| logSw: | -3.7182 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.063 |
| InChI Key: | ZBSSLYYTSCMWNM-UHFFFAOYSA-N |