N-{4-hydroxy-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]naphthalen-1-yl}-4-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-{4-hydroxy-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]naphthalen-1-yl}-4-(propan-2-yl)benzene-1-sulfonamide
N-{4-hydroxy-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]naphthalen-1-yl}-4-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 7287-0094 |
| Compound Name: | N-{4-hydroxy-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]naphthalen-1-yl}-4-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1cc(c(c2ccccc12)O)Sc1nc[nH]n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.782 |
| logD: | 4.7435 |
| logSw: | -4.4564 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.551 |
| InChI Key: | MFEOAVQPFYZKIH-UHFFFAOYSA-N |