ethyl 4-(2,5-dimethylphenyl)-1-ethyl-2-oxo-6-{[4-(propylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,5-dimethylphenyl)-1-ethyl-2-oxo-6-{[4-(propylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2,5-dimethylphenyl)-1-ethyl-2-oxo-6-{[4-(propylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-5369 |
| Compound Name: | ethyl 4-(2,5-dimethylphenyl)-1-ethyl-2-oxo-6-{[4-(propylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C27 H41 N5 O4 |
| Salt: | not_available |
| Smiles: | CCCNC(N1CCCN(CC1)CC1=C(C(c2cc(C)ccc2C)NC(N1CC)=O)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.815 |
| logD: | 0.1049 |
| logSw: | -3.6263 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.525 |
| InChI Key: | KYVCZGSFKRLSSD-XMMPIXPASA-N |