2,5-dimethyl-N-{4-oxo-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]naphthalen-1(4H)-ylidene}benzene-1-sulfonamide
Chemical Structure Depiction of
2,5-dimethyl-N-{4-oxo-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]naphthalen-1(4H)-ylidene}benzene-1-sulfonamide
2,5-dimethyl-N-{4-oxo-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]naphthalen-1(4H)-ylidene}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 7202-2044 |
| Compound Name: | 2,5-dimethyl-N-{4-oxo-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]naphthalen-1(4H)-ylidene}benzene-1-sulfonamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C20 H16 N4 O3 S2 |
| Smiles: | Cc1ccc(C)c(c1)S(/N=C1/C=C(C(c2ccccc12)=O)Sc1nc[nH]n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4493 |
| logD: | 3.4467 |
| logSw: | -4.0176 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.41 |
| InChI Key: | JQUYPLNRLQVBDR-UHFFFAOYSA-N |