N-(3,5-dimethoxyphenyl)-N'-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-N'-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(3,5-dimethoxyphenyl)-N'-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G755-0458 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-N'-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C21 H20 N6 O4 S2 |
| Smiles: | CC1C=CN2C(C=1)=NC(CSc1nnc(NC(Nc3cc(cc(c3)OC)OC)=O)s1)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.9229 |
| logD: | 3.9228 |
| logSw: | -4.1161 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.25 |
| InChI Key: | SXMIBJYDUSTCDO-UHFFFAOYSA-N |