N-(butylcarbamoyl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzene-1-sulfonamide
Chemical Structure Depiction of
N-(butylcarbamoyl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzene-1-sulfonamide
N-(butylcarbamoyl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 1582-0023 |
| Compound Name: | N-(butylcarbamoyl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzene-1-sulfonamide |
| Molecular Weight: | 479.43 |
| Molecular Formula: | C17 H17 N7 O8 S |
| Smiles: | CCCCNC(NS(c1ccc(cc1)Nc1c(cc(c2c1non2)[N+]([O-])=O)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1222 |
| logD: | 1.6755 |
| logSw: | -3.7155 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 176.252 |
| InChI Key: | PQEHMRPJOSVODG-UHFFFAOYSA-N |