2-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8487 |
| Compound Name: | 2-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 557.68 |
| Molecular Formula: | C27 H38 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(NC(C)(C)C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6363 |
| logD: | 6.6256 |
| logSw: | -5.7577 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.272 |
| InChI Key: | PDFSQVVPLXETTQ-UHFFFAOYSA-N |