N-(5-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
Chemical Structure Depiction of
N-(5-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
N-(5-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
Compound characteristics
| Compound ID: | V004-0811 |
| Compound Name: | N-(5-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide |
| Molecular Weight: | 395.54 |
| Molecular Formula: | C18 H25 N3 O3 S2 |
| Smiles: | CCCCCCC(Nc1nnc(SCc2cc(cc(c2)OC)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2537 |
| logD: | 5.2513 |
| logSw: | -4.9113 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.11 |
| InChI Key: | ZHWNUJICLABRAM-UHFFFAOYSA-N |