ethyl 4-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E137-0180 |
| Compound Name: | ethyl 4-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C14 H18 N4 O3 S2 |
| Smiles: | CCOC(c1c(C)c(C(Nc2nnc(SCC)s2)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5582 |
| logD: | 3.2191 |
| logSw: | -3.9118 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.971 |
| InChI Key: | VQTWCGBJVUILQU-UHFFFAOYSA-N |