N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V002-7428 |
| Compound Name: | N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C21 H21 N3 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(C(CSc2nnc(NC(CCc3ccccc3)=O)s2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4106 |
| logD: | 5.4047 |
| logSw: | -5.3405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.998 |
| InChI Key: | BRCFUUPWOYYMIQ-UHFFFAOYSA-N |