N-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-pentylbenzamide
Chemical Structure Depiction of
N-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-pentylbenzamide
N-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-pentylbenzamide
Compound characteristics
| Compound ID: | V012-0456 |
| Compound Name: | N-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-pentylbenzamide |
| Molecular Weight: | 427.59 |
| Molecular Formula: | C22 H25 N3 O2 S2 |
| Salt: | not_available |
| Smiles: | CCCCCc1ccc(cc1)C(Nc1nnc(SCc2ccc(cc2)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7181 |
| logD: | 6.6619 |
| logSw: | -5.5862 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.508 |
| InChI Key: | LKVZHQDYNZZUEW-UHFFFAOYSA-N |