ethyl 4-(3-fluorophenyl)-6-{[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-fluorophenyl)-6-{[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3-fluorophenyl)-6-{[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-5586 |
| Compound Name: | ethyl 4-(3-fluorophenyl)-6-{[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 524.59 |
| Molecular Formula: | C28 H33 F N4 O5 |
| Smiles: | CCOC(C1C(c2cccc(c2)F)NC(N(C)C=1CN1CCCN(CC1)C(c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6631 |
| logD: | 1.2767 |
| logSw: | -2.964 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.854 |
| InChI Key: | TVFJRMMHROXROI-VWLOTQADSA-N |