ethyl 3-{3-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]propanamido}benzoate
Chemical Structure Depiction of
ethyl 3-{3-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]propanamido}benzoate
ethyl 3-{3-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]propanamido}benzoate
Compound characteristics
Compound ID: | G713-0468 |
Compound Name: | ethyl 3-{3-[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]propanamido}benzoate |
Molecular Weight: | 424.48 |
Molecular Formula: | C21 H20 N4 O4 S |
Smiles: | CCOC(c1cccc(c1)NC(CCc1nnc(C(Nc2ccccc2)=O)s1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5074 |
logD: | 3.5074 |
logSw: | -3.7836 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 90.96 |
InChI Key: | UHEDLSMGXILTHJ-UHFFFAOYSA-N |