ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(3,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(3,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(3,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-9767 |
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(3,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 545.68 |
| Molecular Formula: | C28 H43 N5 O6 |
| Smiles: | CCN1C(CN2CCCN(CC2)C(NC(C)(C)C)=O)=C(C(c2ccc(c(c2)OC)OC)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8604 |
| logD: | -0.8497 |
| logSw: | -3.1817 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.768 |
| InChI Key: | BIFIQJHZUHGAFY-DEOSSOPVSA-N |