ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(2,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(2,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(2,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-7306 |
| Compound Name: | ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-4-(2,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 549.5 |
| Molecular Formula: | C27 H34 Cl2 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2[Cl])[Cl])NC(N(CC=C)C=1CN1CCCN(CC1)C(C1CCC1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0987 |
| logD: | 2.0712 |
| logSw: | -4.3298 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.046 |
| InChI Key: | IXUBFDOEIJCREW-DEOSSOPVSA-N |