N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0694 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 525.54 |
| Molecular Formula: | C18 H22 F N3 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | C(CN(Cc1ccc(cc1)F)S(c1cccs1)(=O)=O)C(N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2522 |
| logD: | 0.4242 |
| logSw: | -2.2861 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.692 |
| InChI Key: | PFIJOFRCRDZQBN-UHFFFAOYSA-N |