N-[3-(4-methylpiperidine-1-carbonyl)-4-(piperazin-1-yl)phenyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[3-(4-methylpiperidine-1-carbonyl)-4-(piperazin-1-yl)phenyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[3-(4-methylpiperidine-1-carbonyl)-4-(piperazin-1-yl)phenyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0454 |
| Compound Name: | N-[3-(4-methylpiperidine-1-carbonyl)-4-(piperazin-1-yl)phenyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 598.68 |
| Molecular Formula: | C26 H36 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC1CCN(CC1)C(c1cc(ccc1N1CCNCC1)NS(c1ccc(cc1)C(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2527 |
| logD: | 2.7772 |
| logSw: | -4.1448 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.648 |
| InChI Key: | KGMCNJMCMRZRHR-UHFFFAOYSA-N |