N-(2-ethoxyphenyl)-N'-(5-{[(7-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-(2-ethoxyphenyl)-N'-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(2-ethoxyphenyl)-N'-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G755-0548 |
| Compound Name: | N-(2-ethoxyphenyl)-N'-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C21 H20 N6 O3 S2 |
| Smiles: | CCOc1ccccc1NC(Nc1nnc(SCC2=CC(N3C=C(C)C=CC3=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0133 |
| logD: | 4.0133 |
| logSw: | -4.1435 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.194 |
| InChI Key: | YWNBMLCTSZAMJZ-UHFFFAOYSA-N |