ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1562 |
| Compound Name: | ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 546.71 |
| Molecular Formula: | C32 H42 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)(C)C)NC(N(C)C=1CN1CCCN(CC1)C(c1ccc(C)cc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7139 |
| logD: | 3.3275 |
| logSw: | -4.1055 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.31 |
| InChI Key: | RMHZPPLTZZYNIV-MUUNZHRXSA-N |