N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0498 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 549.54 |
| Molecular Formula: | C21 H26 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)C(N(CCS(N1CCNCC1)(=O)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1686 |
| logD: | 0.8239 |
| logSw: | -2.2652 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.537 |
| InChI Key: | SHJCJWPTTULQBO-UHFFFAOYSA-N |