2-cyclohexyl-7-{[ethyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-cyclohexyl-7-{[ethyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-cyclohexyl-7-{[ethyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0791 |
| Compound Name: | 2-cyclohexyl-7-{[ethyl(3-methylphenyl)amino]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 382.53 |
| Molecular Formula: | C21 H26 N4 O S |
| Smiles: | CCN(CC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9889 |
| logD: | 4.9885 |
| logSw: | -4.6721 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.203 |
| InChI Key: | WMUCETADLSNXTN-UHFFFAOYSA-N |