4-chloro-2-({N-[2-(dimethylamino)ethyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({N-[2-(dimethylamino)ethyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-({N-[2-(dimethylamino)ethyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-9708 |
| Compound Name: | 4-chloro-2-({N-[2-(dimethylamino)ethyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 536.02 |
| Molecular Formula: | C25 H27 Cl F N3 O5 S |
| Salt: | not_available |
| Smiles: | CN(C)CCN(Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])C(Nc1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8903 |
| logD: | 2.7485 |
| logSw: | -4.9032 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.895 |
| InChI Key: | GZFQPKIKNGETIV-UHFFFAOYSA-N |