1-(methanesulfonyl)-6-[4-(4-methoxy-2-nitrophenyl)piperazine-1-sulfonyl]-1,2,3,4-tetrahydroquinoline
Chemical Structure Depiction of
1-(methanesulfonyl)-6-[4-(4-methoxy-2-nitrophenyl)piperazine-1-sulfonyl]-1,2,3,4-tetrahydroquinoline
1-(methanesulfonyl)-6-[4-(4-methoxy-2-nitrophenyl)piperazine-1-sulfonyl]-1,2,3,4-tetrahydroquinoline
Compound characteristics
| Compound ID: | 8017-3967 |
| Compound Name: | 1-(methanesulfonyl)-6-[4-(4-methoxy-2-nitrophenyl)piperazine-1-sulfonyl]-1,2,3,4-tetrahydroquinoline |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C21 H26 N4 O7 S2 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)S(c1ccc2c(CCCN2S(C)(=O)=O)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4878 |
| logD: | 2.4878 |
| logSw: | -2.7994 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 106.45 |
| InChI Key: | KMSCDYUUOXWRTA-UHFFFAOYSA-N |