4-tert-butyl-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
4-tert-butyl-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | V013-0048 |
| Compound Name: | 4-tert-butyl-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 397.56 |
| Molecular Formula: | C21 H23 N3 O S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(NC(c3ccc(cc3)C(C)(C)C)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4299 |
| logD: | 6.3737 |
| logSw: | -5.6332 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.964 |
| InChI Key: | DDELHXZLYNOCCB-UHFFFAOYSA-N |