ethyl 6-{[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-7951 |
| Compound Name: | ethyl 6-{[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C25 H30 N4 O5 |
| Smiles: | CCOC(C1C(c2ccccc2)NC(N(C)C=1CN1CCCN(CC1)C(c1ccco1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9173 |
| logD: | 0.2191 |
| logSw: | -2.3211 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.888 |
| InChI Key: | HPGNSMHIYFYDFS-QFIPXVFZSA-N |