N-(3-methoxyphenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Chemical Structure Depiction of
N-(3-methoxyphenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(3-methoxyphenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G755-0255 |
| Compound Name: | N-(3-methoxyphenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C19 H16 N6 O3 S2 |
| Smiles: | COc1cccc(c1)NC(Nc1nnc(SCC2=CC(N3C=CC=CC3=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5379 |
| logD: | 3.5378 |
| logSw: | -3.8402 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.706 |
| InChI Key: | LCAOEMFNZTZDSY-UHFFFAOYSA-N |