2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-2685 |
| Compound Name: | 2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 540.65 |
| Molecular Formula: | C27 H35 F3 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C2CC2)C(CC(C)(C)C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5122 |
| logD: | 6.5015 |
| logSw: | -5.8083 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.082 |
| InChI Key: | FAVNEVOVDVXBTF-UHFFFAOYSA-N |