4-ethoxy-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
4-ethoxy-N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-ethoxy-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: | F919-0496 |
| Compound Name: | 4-ethoxy-N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 615.67 |
| Molecular Formula: | C25 H35 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(Nc1cc(ccc1N1CCNCC1)C(N1CCCN(C)CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6538 |
| logD: | 1.6538 |
| logSw: | -2.7857 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.882 |
| InChI Key: | FOLKJAHUTFWIOC-UHFFFAOYSA-N |