2-[4-(azepane-1-sulfonyl)phenyl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
2-[4-(azepane-1-sulfonyl)phenyl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
| Compound ID: | C710-0111 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C19 H22 N4 O4 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)N1C(Nc2ccccc2N1O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8566 |
| logD: | 2.7411 |
| logSw: | -3.5873 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.657 |
| InChI Key: | GGBWRAPTASMWHW-UHFFFAOYSA-N |