ethyl 1-methyl-4-(2-methylphenyl)-2-oxo-6-{[4-(phenylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-4-(2-methylphenyl)-2-oxo-6-{[4-(phenylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-4-(2-methylphenyl)-2-oxo-6-{[4-(phenylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-1121 |
| Compound Name: | ethyl 1-methyl-4-(2-methylphenyl)-2-oxo-6-{[4-(phenylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 505.62 |
| Molecular Formula: | C28 H35 N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccccc2C)NC(N(C)C=1CN1CCCN(CC1)C(Nc1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1942 |
| logD: | -0.0823 |
| logSw: | -3.2334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.131 |
| InChI Key: | DGBDQZADRTZZAY-RUZDIDTESA-N |