N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzene-1-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-2433 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzene-1-sulfonamide |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C24 H24 N4 O6 S |
| Smiles: | CCc1c(c2ccc(C)c(c2)S(NCc2ccc3c(c2)OCO3)(=O)=O)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4864 |
| logD: | 2.2111 |
| logSw: | -3.0277 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.976 |
| InChI Key: | SAYZDZDUBFKRQJ-UHFFFAOYSA-N |