ethyl 6-({[(adamantan-1-yl)methyl]amino}methyl)-4-(2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-({[(adamantan-1-yl)methyl]amino}methyl)-4-(2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-({[(adamantan-1-yl)methyl]amino}methyl)-4-(2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7946 |
| Compound Name: | ethyl 6-({[(adamantan-1-yl)methyl]amino}methyl)-4-(2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 467.57 |
| Molecular Formula: | C26 H33 N3 O5 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CNCC12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1553 |
| logD: | 0.9446 |
| logSw: | -4.2415 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.967 |
| InChI Key: | PZUQNBSYESHTBK-KCBBTTLTSA-N |