3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1268 |
| Compound Name: | 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 551.63 |
| Molecular Formula: | C21 H35 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(N(CCC(N1CCNCC1)=O)CCN1CCN(C)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0091 |
| logD: | -0.8189 |
| logSw: | -2.3266 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.111 |
| InChI Key: | HERKNILGGDJFJM-UHFFFAOYSA-N |