5-(diethylamino)-2-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-1929 |
| Compound Name: | 5-(diethylamino)-2-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 581.63 |
| Molecular Formula: | C28 H31 F4 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCNC(N(Cc1ccc(cc1)F)Cc1ccc(cc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)N(CC)CC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7643 |
| logD: | 5.7536 |
| logSw: | -5.602 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.803 |
| InChI Key: | QHBLXKLZFQHPBS-UHFFFAOYSA-N |