3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0053 |
| Compound Name: | 3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 502.53 |
| Molecular Formula: | C21 H32 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(c1)C(N(CCC(N1CCNCC1)=O)CCN1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0126 |
| logD: | -1.1794 |
| logSw: | -1.7907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.38 |
| InChI Key: | HRVVHRFCMMPDHO-UHFFFAOYSA-N |