ethyl 1-ethyl-6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-1100 |
| Compound Name: | ethyl 1-ethyl-6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C25 H37 N5 O4 |
| Smiles: | CCNC(N1CCCN(CC1)CC1=C(C(c2ccccc2C)NC(N1CC)=O)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.589 |
| logD: | -1.1212 |
| logSw: | -2.7447 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.309 |
| InChI Key: | XTTWIMHVBNYOQH-QFIPXVFZSA-N |