N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonamide
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-1732 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonamide |
| Molecular Weight: | 492.91 |
| Molecular Formula: | C21 H18 Cl F N4 O5 S |
| Smiles: | Cc1c(c2ccc(c(c2)S(Nc2ccc(c(c2)[Cl])F)(=O)=O)OC)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1206 |
| logD: | -0.7587 |
| logSw: | -3.6423 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.693 |
| InChI Key: | SHDFHEVTOPOUNN-UHFFFAOYSA-N |