ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-9387 |
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 589.74 |
| Molecular Formula: | C33 H43 N5 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)Oc2ccccc2)NC(N(CC=C)C=1CN1CCN(C(C)C1)C(NC(C)(C)C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1984 |
| logD: | 3.279 |
| logSw: | -5.0117 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.396 |
| InChI Key: | LCFMFXYXKXRSNY-UHFFFAOYSA-N |