methyl 4-[({3-[(4-bromophenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}[(3,4-dimethoxyphenyl)methyl]amino)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({3-[(4-bromophenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}[(3,4-dimethoxyphenyl)methyl]amino)methyl]benzoate
methyl 4-[({3-[(4-bromophenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}[(3,4-dimethoxyphenyl)methyl]amino)methyl]benzoate
Compound characteristics
| Compound ID: | K783-3772 |
| Compound Name: | methyl 4-[({3-[(4-bromophenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}[(3,4-dimethoxyphenyl)methyl]amino)methyl]benzoate |
| Molecular Weight: | 671.54 |
| Molecular Formula: | C31 H28 Br F N2 O7 S |
| Smiles: | COC(c1ccc(CN(Cc2ccc(c(c2)OC)OC)S(c2ccc(c(c2)C(Nc2ccc(cc2)[Br])=O)F)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2683 |
| logD: | 6.1271 |
| logSw: | -5.5735 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.868 |
| InChI Key: | BFGZNVMDZNUSEF-UHFFFAOYSA-N |