3-(2-methylpropanamido)-N-{5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
3-(2-methylpropanamido)-N-{5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
3-(2-methylpropanamido)-N-{5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | Y031-3354 |
| Compound Name: | 3-(2-methylpropanamido)-N-{5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C22 H24 N4 O2 S2 |
| Smiles: | CC(C)C(Nc1cccc(c1)C(Nc1nnc(SCCCc2ccccc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9919 |
| logD: | 5.9051 |
| logSw: | -5.3918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.327 |
| InChI Key: | IWLJJNDANSGPIR-UHFFFAOYSA-N |