ethyl 6-({[(2H-1,3-benzodioxol-5-yl)methyl](pyrazine-2-carbonyl)amino}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-({[(2H-1,3-benzodioxol-5-yl)methyl](pyrazine-2-carbonyl)amino}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-({[(2H-1,3-benzodioxol-5-yl)methyl](pyrazine-2-carbonyl)amino}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8018-1010 |
| Compound Name: | ethyl 6-({[(2H-1,3-benzodioxol-5-yl)methyl](pyrazine-2-carbonyl)amino}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 545.55 |
| Molecular Formula: | C28 H27 N5 O7 |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)NC(NC=1CN(Cc1ccc2c(c1)OCO2)C(c1cnccn1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.994 |
| logD: | 1.7677 |
| logSw: | -2.507 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.217 |
| InChI Key: | SHULEPLHCFCQOO-RUZDIDTESA-N |