3-chloro-N-[(4-fluorophenyl)methyl]-4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-N-[(4-fluorophenyl)methyl]-4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3-chloro-N-[(4-fluorophenyl)methyl]-4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0701 |
| Compound Name: | 3-chloro-N-[(4-fluorophenyl)methyl]-4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 583.99 |
| Molecular Formula: | C21 H25 Cl F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1[Cl])S(N(CCC(N1CCNCC1)=O)Cc1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9222 |
| logD: | 1.0942 |
| logSw: | -3.0662 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.304 |
| InChI Key: | BHDNGFJHUSOVRA-UHFFFAOYSA-N |