5-(diethylamino)-2-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-3544 |
| Compound Name: | 5-(diethylamino)-2-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 607.69 |
| Molecular Formula: | C30 H36 F3 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(Nc2ccccc2OC)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1192 |
| logD: | 7.1085 |
| logSw: | -5.73 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.787 |
| InChI Key: | YXNMZGXZVSTYED-UHFFFAOYSA-N |