ethyl 1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-6-{[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-6-{[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-6-{[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-7961 |
| Compound Name: | ethyl 1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-6-{[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 524.68 |
| Molecular Formula: | C28 H36 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)NC(N(C)C=1CN1CCCN(CC1)C(c1cccs1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9707 |
| logD: | 2.2804 |
| logSw: | -3.7483 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.328 |
| InChI Key: | CORRRXJIIDHAMF-RUZDIDTESA-N |