ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-4-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-4-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-4-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-3282 |
| Compound Name: | ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-4-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 580.64 |
| Molecular Formula: | C30 H36 N4 O8 |
| Smiles: | CCOC(C1C(c2cc(ccc2OC)OC)NC(N(C)C=1CN1CCCN(CC1)C(c1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6136 |
| logD: | 1.2272 |
| logSw: | -3.0894 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.6 |
| InChI Key: | HPNBPKHSMMNOOM-MHZLTWQESA-N |