3-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0492 |
| Compound Name: | 3-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 547.93 |
| Molecular Formula: | C22 H25 Cl F N3 O3 |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(CN(CCC(N2CCNCC2)=O)C(c2ccc(c(c2)[Cl])F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.6191 |
| logD: | 0.7911 |
| logSw: | -2.8035 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.053 |
| InChI Key: | MQMMHWHUFDYIIV-UHFFFAOYSA-N |