N-{5-[(butan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-chlorobenzamide
Chemical Structure Depiction of
N-{5-[(butan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-chlorobenzamide
N-{5-[(butan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-chlorobenzamide
Compound characteristics
| Compound ID: | Y031-3051 |
| Compound Name: | N-{5-[(butan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-chlorobenzamide |
| Molecular Weight: | 327.85 |
| Molecular Formula: | C13 H14 Cl N3 O S2 |
| Smiles: | CCC(C)Sc1nnc(NC(c2ccccc2[Cl])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8074 |
| logD: | 4.372 |
| logSw: | -4.7954 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.236 |
| InChI Key: | LNKRRXSGQFHFAM-QMMMGPOBSA-N |