5-chloro-2-methoxy-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-chloro-2-methoxy-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
5-chloro-2-methoxy-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0665 |
| Compound Name: | 5-chloro-2-methoxy-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 596.02 |
| Molecular Formula: | C22 H28 Cl N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(CN(CCC(N2CCNCC2)=O)S(c2cc(ccc2OC)[Cl])(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.9517 |
| logD: | 1.1237 |
| logSw: | -3.0509 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.848 |
| InChI Key: | ONQLSILTSMIBQC-UHFFFAOYSA-N |