N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-pentylbenzamide
Chemical Structure Depiction of
N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-pentylbenzamide
N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-pentylbenzamide
Compound characteristics
| Compound ID: | V010-2103 |
| Compound Name: | N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-pentylbenzamide |
| Molecular Weight: | 411.59 |
| Molecular Formula: | C22 H25 N3 O S2 |
| Salt: | not_available |
| Smiles: | CCCCCc1ccc(cc1)C(Nc1nnc(SCc2cccc(C)c2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6598 |
| logD: | 7.6036 |
| logSw: | -5.3969 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.964 |
| InChI Key: | XKWJIVOBQMUWIS-UHFFFAOYSA-N |