4-{3-[(1-oxophthalazin-2(1H)-yl)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{3-[(1-oxophthalazin-2(1H)-yl)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzene-1-sulfonamide
4-{3-[(1-oxophthalazin-2(1H)-yl)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8017-1135 |
| Compound Name: | 4-{3-[(1-oxophthalazin-2(1H)-yl)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzene-1-sulfonamide |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C17 H14 N6 O3 S2 |
| Smiles: | C(c1nnc(n1c1ccc(cc1)S(N)(=O)=O)S)N1C(c2ccccc2C=N1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3401 |
| logD: | -1.5994 |
| logSw: | -2.3155 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.3 |
| InChI Key: | IBMLYCNDTBZMQN-UHFFFAOYSA-N |