3-(4-methylphenyl)-4-{[(oxolan-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-methylphenyl)-4-{[(oxolan-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione
3-(4-methylphenyl)-4-{[(oxolan-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0119 |
| Compound Name: | 3-(4-methylphenyl)-4-{[(oxolan-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 271.31 |
| Molecular Formula: | C16 H17 N O3 |
| Smiles: | Cc1ccc(cc1)C1=C(C(C1=O)=O)NCC1CCCO1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0223 |
| logD: | 2.0223 |
| logSw: | -2.4075 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.871 |
| InChI Key: | LYNFVLGMSAGBKD-GFCCVEGCSA-N |