5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8404 |
| Compound Name: | 5-(diethylamino)-2-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 529.62 |
| Molecular Formula: | C25 H34 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCNC(N(CC(C)C)Cc1ccc(cc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)N(CC)CC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5966 |
| logD: | 5.5859 |
| logSw: | -5.5044 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.074 |
| InChI Key: | GTIVENXQIYJYIU-UHFFFAOYSA-N |