ethyl 4-[4-(4-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)piperazin-1-yl]-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[4-(4-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)piperazin-1-yl]-4-oxobutanoate
ethyl 4-[4-(4-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)piperazin-1-yl]-4-oxobutanoate
Compound characteristics
| Compound ID: | V021-6739 |
| Compound Name: | ethyl 4-[4-(4-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)piperazin-1-yl]-4-oxobutanoate |
| Molecular Weight: | 510.64 |
| Molecular Formula: | C27 H38 N6 O4 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCN(CC1)C1NC(C=C(CN2CCN(CC2)c2cc(C)ccc2C)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1006 |
| logD: | -0.1065 |
| logSw: | -2.7648 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.414 |
| InChI Key: | ZYNWWFCOBJNZCX-UHFFFAOYSA-N |