5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl ethanesulfonate
5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-3565 |
| Compound Name: | 5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 543.66 |
| Molecular Formula: | C28 H34 F N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccc(cc2)F)C(Nc2ccccc2OC)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3485 |
| logD: | 5.339 |
| logSw: | -5.2928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.863 |
| InChI Key: | RDPSOTDZQLJPDQ-UHFFFAOYSA-N |