2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methoxyphenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methoxyphenyl)benzene-1-sulfonamide
2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methoxyphenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K659-0710 |
| Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methoxyphenyl)benzene-1-sulfonamide |
| Molecular Weight: | 648.75 |
| Molecular Formula: | C34 H37 F N4 O6 S |
| Smiles: | COc1cccc(c1)NS(c1cc(ccc1NCCc1ccc(c(c1)OC)OC)C(N1CCN(CC1)c1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4392 |
| logD: | 3.9537 |
| logSw: | -4.2672 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.979 |
| InChI Key: | SWGAVOHNZSTCGH-UHFFFAOYSA-N |