ethyl 6-{[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(2,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(2,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(2,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-8721 |
| Compound Name: | ethyl 6-{[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(2,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 542.68 |
| Molecular Formula: | C29 H42 N4 O6 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)C(C2CCCC2)=O)=C(C(c2cc(ccc2OC)OC)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5749 |
| logD: | 1.4259 |
| logSw: | -3.6806 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.001 |
| InChI Key: | DDSBDTVVKSKPJW-AREMUKBSSA-N |