3,4-dimethoxy-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4-dimethoxy-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3,4-dimethoxy-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1442 |
| Compound Name: | 3,4-dimethoxy-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 575.6 |
| Molecular Formula: | C23 H31 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(CN(CCC(N2CCNCC2)=O)S(c2ccc(c(c2)OC)OC)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.8695 |
| logD: | 1.0416 |
| logSw: | -2.7533 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.935 |
| InChI Key: | VBHVEQTYMCUHKC-UHFFFAOYSA-N |