N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V010-6933 |
| Compound Name: | N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide |
| Molecular Weight: | 351.49 |
| Molecular Formula: | C16 H21 N3 O2 S2 |
| Smiles: | CC(C)(C)CC(Nc1nnc(SCc2cccc(c2)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6773 |
| logD: | 4.6716 |
| logSw: | -4.5701 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.566 |
| InChI Key: | OXZJPOWLQAHLSG-UHFFFAOYSA-N |