ethyl {4-[(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]phenyl}acetate
Chemical Structure Depiction of
ethyl {4-[(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]phenyl}acetate
ethyl {4-[(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]phenyl}acetate
Compound characteristics
| Compound ID: | G755-0251 |
| Compound Name: | ethyl {4-[(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]phenyl}acetate |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C22 H20 N6 O4 S2 |
| Smiles: | CCOC(Cc1ccc(cc1)NC(Nc1nnc(SCC2=CC(N3C=CC=CC3=N2)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5267 |
| logD: | 3.5265 |
| logSw: | -3.7333 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.321 |
| InChI Key: | CWPHZJYVPKPYML-UHFFFAOYSA-N |