2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G432-0285 |
| Compound Name: | 2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C21 H24 N4 O3 S2 |
| Smiles: | COc1ccc(cc1)NC(CSCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3707 |
| logD: | 4.3707 |
| logSw: | -4.2727 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.884 |
| InChI Key: | XUYOMSMTKKCQMI-UHFFFAOYSA-N |