ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-1-methyl-4-(2-methylphenyl)-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}-1-methyl-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-1-methyl-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1578 |
| Compound Name: | ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl}-1-methyl-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 534.61 |
| Molecular Formula: | C29 H34 N4 O6 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccccc2C)NC(N(C)C=1CN1CCCN(CC1)C(c1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.864 |
| logD: | 1.4776 |
| logSw: | -3.1365 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.425 |
| InChI Key: | VXFHAVCGLHKEBT-AREMUKBSSA-N |