methyl 4-[({5-[(3-chlorophenyl)carbamoyl]-2-fluorobenzene-1-sulfonyl}[(3,4-dimethoxyphenyl)methyl]amino)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({5-[(3-chlorophenyl)carbamoyl]-2-fluorobenzene-1-sulfonyl}[(3,4-dimethoxyphenyl)methyl]amino)methyl]benzoate
methyl 4-[({5-[(3-chlorophenyl)carbamoyl]-2-fluorobenzene-1-sulfonyl}[(3,4-dimethoxyphenyl)methyl]amino)methyl]benzoate
Compound characteristics
| Compound ID: | K783-3684 |
| Compound Name: | methyl 4-[({5-[(3-chlorophenyl)carbamoyl]-2-fluorobenzene-1-sulfonyl}[(3,4-dimethoxyphenyl)methyl]amino)methyl]benzoate |
| Molecular Weight: | 627.09 |
| Molecular Formula: | C31 H28 Cl F N2 O7 S |
| Smiles: | COC(c1ccc(CN(Cc2ccc(c(c2)OC)OC)S(c2cc(ccc2F)C(Nc2cccc(c2)[Cl])=O)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0615 |
| logD: | 5.8959 |
| logSw: | -6.1888 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.868 |
| InChI Key: | JICWSJVHLYZHCH-UHFFFAOYSA-N |