N-(2H-1,3-benzodioxol-5-yl)-2-methyl-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-(2H-1,3-benzodioxol-5-yl)-2-methyl-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-(2H-1,3-benzodioxol-5-yl)-2-methyl-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: | L299-0530 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-methyl-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: | 468.49 |
| Molecular Formula: | C22 H20 N4 O6 S |
| Smiles: | Cc1ccc(cc1S(Nc1ccc2c(c1)OCO2)(=O)=O)c1c(C)nn2C(CCC(Nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7642 |
| logD: | 0.5301 |
| logSw: | -2.7414 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.178 |
| InChI Key: | BCCXSRHSFAETSC-UHFFFAOYSA-N |