cycloheptyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
cycloheptyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
cycloheptyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-0485 |
| Compound Name: | cycloheptyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C20 H24 N2 O5 |
| Smiles: | CC1=C(C(c2ccc3c(c2)OCO3)NC(N1)=O)C(=O)OC1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.658 |
| logD: | 3.5078 |
| logSw: | -3.6966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.222 |
| InChI Key: | PNGVTXDTGQSMSD-GOSISDBHSA-N |