2-{2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]phenyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]phenyl}-1,2,3,4-tetrahydroisoquinoline
2-{2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]phenyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 4787-1877 |
| Compound Name: | 2-{2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]phenyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | C1CN(Cc2ccccc12)c1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2714 |
| logD: | 4.2714 |
| logSw: | -4.4127 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.998 |
| InChI Key: | CGRZVYAAQSUNEW-UHFFFAOYSA-N |