N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V012-0515 |
| Compound Name: | N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 409.45 |
| Molecular Formula: | C18 H14 F3 N3 O S2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(CSc2nnc(NC(c3ccc(cc3)C(F)(F)F)=O)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.0089 |
| logD: | 5.9527 |
| logSw: | -5.4728 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.964 |
| InChI Key: | VBGXVYKUPNVKLP-UHFFFAOYSA-N |