methyl 3-[({[(oxolan-2-yl)methyl]amino}[4-(trifluoromethyl)benzamido]methylidene)amino]benzoate
Chemical Structure Depiction of
methyl 3-[({[(oxolan-2-yl)methyl]amino}[4-(trifluoromethyl)benzamido]methylidene)amino]benzoate
methyl 3-[({[(oxolan-2-yl)methyl]amino}[4-(trifluoromethyl)benzamido]methylidene)amino]benzoate
Compound characteristics
| Compound ID: | L088-0872 |
| Compound Name: | methyl 3-[({[(oxolan-2-yl)methyl]amino}[4-(trifluoromethyl)benzamido]methylidene)amino]benzoate |
| Molecular Weight: | 449.43 |
| Molecular Formula: | C22 H22 F3 N3 O4 |
| Smiles: | COC(c1cccc(c1)/N=C(\NCC1CCCO1)NC(c1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8496 |
| logD: | 3.8455 |
| logSw: | -4.0885 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.679 |
| InChI Key: | LZXMTSVIGNPNIO-GOSISDBHSA-N |