2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-N-pentylbenzamide
Chemical Structure Depiction of
2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-N-pentylbenzamide
2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-N-pentylbenzamide
Compound characteristics
| Compound ID: | K781-5775 |
| Compound Name: | 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-N-pentylbenzamide |
| Molecular Weight: | 522.68 |
| Molecular Formula: | C25 H34 N2 O6 S2 |
| Smiles: | CCCCCNC(c1cc(ccc1SCc1cccc(c1OC)OC)S(N1CCOCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5799 |
| logD: | 4.5799 |
| logSw: | -4.2867 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.46 |
| InChI Key: | KZQXZIYPIHMRBZ-UHFFFAOYSA-N |