4-butyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
4-butyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
4-butyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | V012-5975 |
| Compound Name: | 4-butyl-N-(5-{[(3-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: | CCCCc1ccc(cc1)C(Nc1nnc(SCc2cccc(C)c2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1054 |
| logD: | 7.0492 |
| logSw: | -5.5351 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.964 |
| InChI Key: | SPPGOSDFFJMWPI-UHFFFAOYSA-N |