N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0495 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 549.47 |
| Molecular Formula: | C22 H24 F3 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(CN(CC(N2CCNCC2)=O)C(c2ccc(cc2)C(F)(F)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.9724 |
| logD: | 1.4129 |
| logSw: | -2.6333 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.075 |
| InChI Key: | GDWCYOBHFXPIMW-UHFFFAOYSA-N |