ethyl 4-oxo-4-({5-[(2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)butanoate
Chemical Structure Depiction of
ethyl 4-oxo-4-({5-[(2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)butanoate
ethyl 4-oxo-4-({5-[(2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)butanoate
Compound characteristics
| Compound ID: | V014-3889 |
| Compound Name: | ethyl 4-oxo-4-({5-[(2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)butanoate |
| Molecular Weight: | 365.47 |
| Molecular Formula: | C16 H19 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(Nc1nnc(SCCc2ccccc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5283 |
| logD: | 3.5233 |
| logSw: | -3.6478 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.181 |
| InChI Key: | BCJGZNLDKSEUIQ-UHFFFAOYSA-N |