N-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G755-0210 |
| Compound Name: | N-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C19 H13 N5 O4 S2 |
| Smiles: | C1Oc2ccc(cc2O1)C(Nc1nnc(SCC2=CC(N3C=CC=CC3=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9063 |
| logD: | 2.9005 |
| logSw: | -3.457 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.066 |
| InChI Key: | IPCIMLZCSHOOJL-UHFFFAOYSA-N |