ethyl 3-{[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}-3-phenylpropanoate
Chemical Structure Depiction of
ethyl 3-{[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}-3-phenylpropanoate
ethyl 3-{[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}-3-phenylpropanoate
Compound characteristics
| Compound ID: | E002-1742 |
| Compound Name: | ethyl 3-{[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}-3-phenylpropanoate |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C20 H27 N5 O3 S |
| Smiles: | CCOC(CC(c1ccccc1)NC(Nc1nnc(N2CCCCC2C)s1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6845 |
| logD: | 3.6845 |
| logSw: | -3.7994 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.75 |
| InChI Key: | IHNPUTSYZPEUQA-UHFFFAOYSA-N |