6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyrimidin-4(3H)-one
6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V014-6963 |
| Compound Name: | 6-[(4-benzylpiperazin-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: | C1CN(CCN1CC1=CC(NC(=N1)N1CCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8221 |
| logD: | 0.0347 |
| logSw: | -2.602 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.536 |
| InChI Key: | NTQOSRSYXZLKJV-UHFFFAOYSA-N |