N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
Chemical Structure Depiction of
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | G755-0699 |
| Compound Name: | N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C19 H14 Cl N5 O3 S2 |
| Smiles: | COc1ccc(cc1)C(Nc1nnc(SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1614 |
| logD: | 3.1384 |
| logSw: | -3.8048 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.013 |
| InChI Key: | KISRSBOMKDIBBV-UHFFFAOYSA-N |