2-chloro-N-[(3-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-chloro-N-[(3-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
2-chloro-N-[(3-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0450 |
| Compound Name: | 2-chloro-N-[(3-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 566 |
| Molecular Formula: | C21 H26 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(CN(CCS(N2CCNCC2)(=O)=O)C(c2ccccc2[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.6265 |
| logD: | 1.2818 |
| logSw: | -3.053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.537 |
| InChI Key: | PRKPXHPQDSENOT-UHFFFAOYSA-N |