2-[4-({2-[4-(4-methoxybenzene-1-sulfonyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidin-4-yl}methyl)piperazin-1-yl]benzonitrile
Chemical Structure Depiction of
2-[4-({2-[4-(4-methoxybenzene-1-sulfonyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidin-4-yl}methyl)piperazin-1-yl]benzonitrile
2-[4-({2-[4-(4-methoxybenzene-1-sulfonyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidin-4-yl}methyl)piperazin-1-yl]benzonitrile
Compound characteristics
| Compound ID: | V015-7402 |
| Compound Name: | 2-[4-({2-[4-(4-methoxybenzene-1-sulfonyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidin-4-yl}methyl)piperazin-1-yl]benzonitrile |
| Molecular Weight: | 549.65 |
| Molecular Formula: | C27 H31 N7 O4 S |
| Smiles: | COc1ccc(cc1)S(N1CCN(CC1)C1NC(C=C(CN2CCN(CC2)c2ccccc2C#N)N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9637 |
| logD: | 0.9307 |
| logSw: | -2.9441 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.174 |
| InChI Key: | KASNKOJECUSKHW-UHFFFAOYSA-N |