4-({(2H-1,3-benzodioxole-5-carbonyl)[2-(dimethylamino)ethyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-({(2H-1,3-benzodioxole-5-carbonyl)[2-(dimethylamino)ethyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-({(2H-1,3-benzodioxole-5-carbonyl)[2-(dimethylamino)ethyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-5602 |
| Compound Name: | 4-({(2H-1,3-benzodioxole-5-carbonyl)[2-(dimethylamino)ethyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 500.55 |
| Molecular Formula: | C25 H25 F N2 O6 S |
| Salt: | not_available |
| Smiles: | CN(C)CCN(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3954 |
| logD: | 3.0595 |
| logSw: | -3.8284 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.171 |
| InChI Key: | WQHDPNFPFOVMSA-UHFFFAOYSA-N |