N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3-propanamidobenzamide
Chemical Structure Depiction of
N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3-propanamidobenzamide
N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3-propanamidobenzamide
Compound characteristics
| Compound ID: | Y031-3509 |
| Compound Name: | N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3-propanamidobenzamide |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C19 H18 N4 O2 S2 |
| Smiles: | CCC(Nc1cccc(c1)C(Nc1nnc(CSc2ccccc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0207 |
| logD: | 2.9917 |
| logSw: | -3.9583 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.248 |
| InChI Key: | DLEUYUXHXKSXGC-UHFFFAOYSA-N |