(2RS)-N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
Chemical Structure Depiction of
(2RS)-N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
(2RS)-N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
Compound characteristics
| Compound ID: | V010-8554 |
| Compound Name: | (2RS)-N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylcyclopropane-1-carboxamide |
| Molecular Weight: | 423.55 |
| Molecular Formula: | C22 H21 N3 O2 S2 |
| Smiles: | Cc1ccc(C(CSc2nnc(NC(C3C[C@H]3c3ccccc3)=O)s2)=O)c(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8265 |
| logD: | 5.7767 |
| logSw: | -5.4445 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.463 |
| InChI Key: | GAYMFCHEAKUYJA-ZENAZSQFSA-N |