N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-(1,3-dioxodihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-2(3H)-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-(1,3-dioxodihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-2(3H)-yl)benzene-1-sulfonamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-(1,3-dioxodihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-2(3H)-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8018-1029 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-(1,3-dioxodihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-2(3H)-yl)benzene-1-sulfonamide |
| Molecular Weight: | 458.45 |
| Molecular Formula: | C20 H18 N4 O7 S |
| Smiles: | CC(c1cc2c(cc1NS(c1ccc(cc1)N1C(N3CCCN3C1=O)=O)(=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7254 |
| logD: | -0.4634 |
| logSw: | -2.823 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.664 |
| InChI Key: | FVMSENRMSZXDKE-UHFFFAOYSA-N |