ethyl (4-{[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}phenyl)acetate
Chemical Structure Depiction of
ethyl (4-{[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}phenyl)acetate
ethyl (4-{[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}phenyl)acetate
Compound characteristics
| Compound ID: | E002-1387 |
| Compound Name: | ethyl (4-{[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}phenyl)acetate |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C17 H21 N5 O3 S |
| Smiles: | CCOC(Cc1ccc(cc1)NC(Nc1nnc(N2CCCC2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.541 |
| logD: | 3.5409 |
| logSw: | -3.6553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.879 |
| InChI Key: | DKDHTKQTAJDSMN-UHFFFAOYSA-N |