3-({N-[2-(dimethylamino)ethyl]-3-fluorobenzamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[2-(dimethylamino)ethyl]-3-fluorobenzamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({N-[2-(dimethylamino)ethyl]-3-fluorobenzamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-3276 |
| Compound Name: | 3-({N-[2-(dimethylamino)ethyl]-3-fluorobenzamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 505.01 |
| Molecular Formula: | C25 H26 Cl F N2 O4 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1cccc(CN(CCN(C)C)C(c2cccc(c2)F)=O)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1847 |
| logD: | 3.8489 |
| logSw: | -4.4403 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.055 |
| InChI Key: | KIWUOGXHZHUMES-UHFFFAOYSA-N |