5-{[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8017-6271 |
| Compound Name: | 5-{[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C15 H11 N5 O S2 |
| Smiles: | C(c1ccc2c(c1)nsn2)SC1=NNC(N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5667 |
| logD: | 3.3477 |
| logSw: | -3.7478 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.739 |
| InChI Key: | XQAVYGAKAMLGQL-UHFFFAOYSA-N |