ethyl 4-(4-tert-butylphenyl)-6-{[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-tert-butylphenyl)-6-{[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-tert-butylphenyl)-6-{[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-3419 |
| Compound Name: | ethyl 4-(4-tert-butylphenyl)-6-{[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C27 H41 N5 O4 |
| Smiles: | CCNC(N1CCN(CC1C)CC1=C(C(c2ccc(cc2)C(C)(C)C)NC(N1C)=O)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5843 |
| logD: | 1.4173 |
| logSw: | -3.443 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.237 |
| InChI Key: | HMOXBLUNQVABNB-UHFFFAOYSA-N |