ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-9053 |
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 563.7 |
| Molecular Formula: | C31 H41 N5 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)Oc2ccccc2)NC(N(C)C=1CN1CCN(C(C)C1)C(NC(C)(C)C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.436 |
| logD: | 2.2689 |
| logSw: | -4.2166 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.183 |
| InChI Key: | SVVLEPNZQQIHJH-UHFFFAOYSA-N |