ethyl 2-[(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 2-[(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]benzoate
ethyl 2-[(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G755-0243 |
| Compound Name: | ethyl 2-[(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]benzoate |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C21 H18 N6 O4 S2 |
| Smiles: | CCOC(c1ccccc1NC(Nc1nnc(SCC2=CC(N3C=CC=CC3=N2)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7406 |
| logD: | 3.7399 |
| logSw: | -4.0515 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.218 |
| InChI Key: | HSSBHZFYTWLGQL-UHFFFAOYSA-N |