4-tert-butyl-N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
4-tert-butyl-N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | V012-0906 |
| Compound Name: | 4-tert-butyl-N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1nnc(SCc2cccc(c2)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3394 |
| logD: | 6.2832 |
| logSw: | -5.4804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.508 |
| InChI Key: | MVXWRHUCPJOAHR-UHFFFAOYSA-N |