ethyl 4-[({3-[(2,6-dimethylphenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}[(4-methylphenyl)methyl]amino)methyl]benzoate
Chemical Structure Depiction of
ethyl 4-[({3-[(2,6-dimethylphenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}[(4-methylphenyl)methyl]amino)methyl]benzoate
ethyl 4-[({3-[(2,6-dimethylphenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}[(4-methylphenyl)methyl]amino)methyl]benzoate
Compound characteristics
| Compound ID: | K783-3588 |
| Compound Name: | ethyl 4-[({3-[(2,6-dimethylphenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}[(4-methylphenyl)methyl]amino)methyl]benzoate |
| Molecular Weight: | 588.7 |
| Molecular Formula: | C33 H33 F N2 O5 S |
| Smiles: | CCOC(c1ccc(CN(Cc2ccc(C)cc2)S(c2ccc(c(c2)C(Nc2c(C)cccc2C)=O)F)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8428 |
| logD: | 6.8349 |
| logSw: | -5.6445 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.791 |
| InChI Key: | PSQGTXASWCQWGW-UHFFFAOYSA-N |