methyl 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
methyl 2-[(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]benzoate
methyl 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: | G755-0236 |
| Compound Name: | methyl 2-[(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)carbamamido]benzoate |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C20 H16 N6 O4 S2 |
| Smiles: | COC(c1ccccc1NC(Nc1nnc(SCC2=CC(N3C=CC=CC3=N2)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.197 |
| logD: | 3.1962 |
| logSw: | -3.67 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.638 |
| InChI Key: | TXNWOXAGCXSNLE-UHFFFAOYSA-N |