ethyl 2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-7317 |
| Compound Name: | ethyl 2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 551.61 |
| Molecular Formula: | C27 H36 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCCNC(N1CCCN(CC1)CC1=C(C(c2ccc(cc2)C(F)(F)F)NC(N1CC=C)=O)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8279 |
| logD: | 0.2402 |
| logSw: | -3.7416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.779 |
| InChI Key: | QQLSMNDJXXQCDU-QHCPKHFHSA-N |