methyl 3-{[(3,4-difluorobenzamido){[(oxolan-2-yl)methyl]amino}methylidene]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[(3,4-difluorobenzamido){[(oxolan-2-yl)methyl]amino}methylidene]amino}benzoate
methyl 3-{[(3,4-difluorobenzamido){[(oxolan-2-yl)methyl]amino}methylidene]amino}benzoate
Compound characteristics
| Compound ID: | L088-0879 |
| Compound Name: | methyl 3-{[(3,4-difluorobenzamido){[(oxolan-2-yl)methyl]amino}methylidene]amino}benzoate |
| Molecular Weight: | 417.41 |
| Molecular Formula: | C21 H21 F2 N3 O4 |
| Smiles: | COC(c1cccc(c1)/N=C(\NCC1CCCO1)NC(c1ccc(c(c1)F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3532 |
| logD: | 3.3314 |
| logSw: | -3.7049 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.679 |
| InChI Key: | ORTOIXFONWXGDO-MRXNPFEDSA-N |