2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 4541-1757 |
| Compound Name: | 2-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | CCS(N1CCN(CC1)c1ccc(c(c1)N1CCc2ccccc2C1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.307 |
| logD: | 3.307 |
| logSw: | -3.7858 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.27 |
| InChI Key: | YYOGVCIKSJGZJY-UHFFFAOYSA-N |