N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
Chemical Structure Depiction of
N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V007-6649 |
| Compound Name: | N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide |
| Molecular Weight: | 363.54 |
| Molecular Formula: | C18 H25 N3 O S2 |
| Smiles: | CC(C)CC(Nc1nnc(SCc2ccc(cc2)C(C)(C)C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.705 |
| logD: | 5.7014 |
| logSw: | -5.3948 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | YQPQRLYETDEKFH-UHFFFAOYSA-N |