N-[(3-ethoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-ethoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
N-[(3-ethoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-1072 |
| Compound Name: | N-[(3-ethoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 563.5 |
| Molecular Formula: | C23 H26 F3 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCOc1cccc(CN(CC(N2CCNCC2)=O)C(c2ccc(cc2)C(F)(F)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.3599 |
| logD: | 1.8004 |
| logSw: | -2.9266 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.655 |
| InChI Key: | LFRPMBUSVSCEQP-UHFFFAOYSA-N |