ethyl 6-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V008-9490 |
| Compound Name: | ethyl 6-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 546.67 |
| Molecular Formula: | C31 H38 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(C)cc2)NC(N(CC=C)C=1CN1CCCN(CC1)C(c1cccc(c1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.66 |
| logD: | 2.5098 |
| logSw: | -3.7535 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.066 |
| InChI Key: | SXLSWNPYDNUMMY-MUUNZHRXSA-N |