ethyl 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-2-oxo-4-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-2-oxo-4-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-2-oxo-4-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C430-5413 |
| Compound Name: | ethyl 6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-2-oxo-4-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 536.63 |
| Molecular Formula: | C29 H36 N4 O6 |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC(C)C)NC(NC=1CN1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.982 |
| logD: | 2.982 |
| logSw: | -3.303 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.243 |
| InChI Key: | HTYYFWFXIAGTKF-HHHXNRCGSA-N |