3-(2-ethylbutanamido)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
3-(2-ethylbutanamido)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
3-(2-ethylbutanamido)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | Y031-3424 |
| Compound Name: | 3-(2-ethylbutanamido)-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C22 H24 N4 O2 S2 |
| Smiles: | CCC(CC)C(Nc1cccc(c1)C(Nc1nnc(CSc2ccccc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1312 |
| logD: | 4.1022 |
| logSw: | -4.955 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.461 |
| InChI Key: | MXEGLXMDAKOVPN-UHFFFAOYSA-N |