N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-ethylbutanamido)benzamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-ethylbutanamido)benzamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-ethylbutanamido)benzamide
Compound characteristics
| Compound ID: | Y031-0017 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-ethylbutanamido)benzamide |
| Molecular Weight: | 442.97 |
| Molecular Formula: | C22 H23 Cl N4 O2 S |
| Smiles: | CCC(CC)C(Nc1cccc(c1)C(Nc1nnc(Cc2ccc(cc2)[Cl])s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4515 |
| logD: | 5.1214 |
| logSw: | -5.9706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.461 |
| InChI Key: | GKTMMKIHWHYMRT-UHFFFAOYSA-N |