N-{4-oxo-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]naphthalen-1(4H)-ylidene}-4-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-{4-oxo-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]naphthalen-1(4H)-ylidene}-4-(propan-2-yl)benzene-1-sulfonamide
N-{4-oxo-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]naphthalen-1(4H)-ylidene}-4-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 7202-2092 |
| Compound Name: | N-{4-oxo-3-[(1H-1,2,4-triazol-3-yl)sulfanyl]naphthalen-1(4H)-ylidene}-4-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C21 H18 N4 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)S(/N=C1/C=C(C(c2ccccc12)=O)Sc1nc[nH]n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1708 |
| logD: | 4.1682 |
| logSw: | -4.3515 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.41 |
| InChI Key: | DCRFDHQSWQJQBT-UHFFFAOYSA-N |