3,4-dimethoxy-N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4-dimethoxy-N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3,4-dimethoxy-N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0256 |
| Compound Name: | 3,4-dimethoxy-N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 631.67 |
| Molecular Formula: | C25 H35 N5 O5 S |
| Salt: | CF3COOH |
| Smiles: | CN1CCCN(CC1)C(c1ccc(c(c1)NS(c1ccc(c(c1)OC)OC)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7949 |
| logD: | -0.4052 |
| logSw: | -2.5162 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.019 |
| InChI Key: | BTKFWHIOKHNXSE-UHFFFAOYSA-N |