3-bromo-N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-bromo-N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
3-bromo-N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0489 |
| Compound Name: | 3-bromo-N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 560.37 |
| Molecular Formula: | C21 H24 Br N3 O3 |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(CN(CC(N2CCNCC2)=O)C(c2cccc(c2)[Br])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.8645 |
| logD: | 1.305 |
| logSw: | -2.4441 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.075 |
| InChI Key: | XVCOKQDUMJSCDI-UHFFFAOYSA-N |