2-{5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
2-{5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 8012-6098 |
| Compound Name: | 2-{5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C20 H24 N4 O4 S |
| Smiles: | CS(N1CCN(CC1)c1ccc(c(c1)N1CCc2ccccc2C1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9871 |
| logD: | 2.9871 |
| logSw: | -3.6166 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.868 |
| InChI Key: | OMWDEYGKDFOQSV-UHFFFAOYSA-N |