ethyl 1-methyl-6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-5619 |
| Compound Name: | ethyl 1-methyl-6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 549.67 |
| Molecular Formula: | C30 H39 N5 O5 |
| Smiles: | CCOC(C1C(c2cccc(c2)Oc2ccccc2)NC(N(C)C=1CN1CCN(C(C)C1)C(NC(C)C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0227 |
| logD: | 1.8557 |
| logSw: | -3.9888 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.334 |
| InChI Key: | WATMWUNNQAOOCO-UHFFFAOYSA-N |