N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0503 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 585.59 |
| Molecular Formula: | C20 H26 F N3 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(N(CCS(N1CCNCC1)(=O)=O)Cc1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5868 |
| logD: | 1.2421 |
| logSw: | -2.5051 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.702 |
| InChI Key: | AINGVZCLSQTCFG-UHFFFAOYSA-N |