3-bromo-N-[3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl]benzamide
Chemical Structure Depiction of
3-bromo-N-[3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl]benzamide
3-bromo-N-[3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | V009-3419 |
| Compound Name: | 3-bromo-N-[3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl]benzamide |
| Molecular Weight: | 588.52 |
| Molecular Formula: | C27 H30 Br N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNS(c2cc(ccc2N2CCCC2)NC(c2cccc(c2)[Br])=O)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.1817 |
| logD: | 5.1279 |
| logSw: | -5.0331 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.708 |
| InChI Key: | QXPCVMMDYWWVDS-UHFFFAOYSA-N |