N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(3-methoxyphenyl)urea
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)-N'-(3-methoxyphenyl)urea
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(3-methoxyphenyl)urea
Compound characteristics
| Compound ID: | G755-0727 |
| Compound Name: | N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(3-methoxyphenyl)urea |
| Molecular Weight: | 474.95 |
| Molecular Formula: | C19 H15 Cl N6 O3 S2 |
| Smiles: | COc1cccc(c1)NC(Nc1nnc(SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.733 |
| logD: | 3.7329 |
| logSw: | -4.372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.225 |
| InChI Key: | MWFXVILNCJWJKU-UHFFFAOYSA-N |