4-bromo-N-[3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl]benzamide
Chemical Structure Depiction of
4-bromo-N-[3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl]benzamide
4-bromo-N-[3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | V012-0509 |
| Compound Name: | 4-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(c2ccc(cc2)[Br])=O)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.1667 |
| logD: | 5.108 |
| logSw: | -5.0327 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.708 |
| InChI Key: | UFUNRZWCJLTHQP-UHFFFAOYSA-N |