ethyl 4-(2,3-dichlorophenyl)-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-(2,3-dichlorophenyl)-1-ethyl-2-oxo-6-{[4-(propylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2,3-dichlorophenyl)-1-ethyl-2-oxo-6-{[4-(propylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-9413 |
| Compound Name: | ethyl 4-(2,3-dichlorophenyl)-1-ethyl-2-oxo-6-{[4-(propylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 540.49 |
| Molecular Formula: | C25 H35 Cl2 N5 O4 |
| Salt: | not_available |
| Smiles: | CCCNC(N1CCCN(CC1)CC1=C(C(c2cccc(c2[Cl])[Cl])NC(N1CC)=O)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.112 |
| logD: | 0.4019 |
| logSw: | -4.3143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.525 |
| InChI Key: | XPGFPEUOWVUCSX-QFIPXVFZSA-N |