6-{[4-(2-methylphenyl)piperazin-1-yl]methyl}-2-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[4-(2-methylphenyl)piperazin-1-yl]methyl}-2-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyrimidin-4(3H)-one
6-{[4-(2-methylphenyl)piperazin-1-yl]methyl}-2-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V022-7561 |
| Compound Name: | 6-{[4-(2-methylphenyl)piperazin-1-yl]methyl}-2-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 553.64 |
| Molecular Formula: | C26 H31 N7 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1CCN(CC1)CC1=CC(NC(=N1)N1CCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7635 |
| logD: | 0.5565 |
| logSw: | -3.3614 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.955 |
| InChI Key: | UARHJQOMJGNQTO-UHFFFAOYSA-N |