N-[(4-fluorophenyl)methyl]-2,4,5-trimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2,4,5-trimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(4-fluorophenyl)methyl]-2,4,5-trimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0712 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2,4,5-trimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 561.6 |
| Molecular Formula: | C23 H30 F N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(cc1C)S(N(CCC(N1CCNCC1)=O)Cc1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9781 |
| logD: | 2.1502 |
| logSw: | -3.3858 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.674 |
| InChI Key: | HDLLQNCCXJTQGH-UHFFFAOYSA-N |