ethyl 6-{[4-(adamantan-1-yl)piperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(adamantan-1-yl)piperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(adamantan-1-yl)piperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-0107 |
| Compound Name: | ethyl 6-{[4-(adamantan-1-yl)piperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 506.69 |
| Molecular Formula: | C30 H42 N4 O3 |
| Smiles: | CCOC(C1C(c2cc(C)ccc2C)NC(NC=1CN1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0655 |
| logD: | 5.0655 |
| logSw: | -4.5788 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.737 |
| InChI Key: | XBRQAQUVRMMMOQ-DBUDQHHESA-N |