N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]propanamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]propanamide--trifluoroacetic acid (1/1)
N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]propanamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0505 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]propanamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 577.59 |
| Molecular Formula: | C23 H30 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(CCC(N(CCS(N2CCNCC2)(=O)=O)Cc2ccc(cc2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8449 |
| logD: | 1.5002 |
| logSw: | -2.5218 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.01 |
| InChI Key: | VGZVZRMMSSEGDR-UHFFFAOYSA-N |