2-methyl-3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate
Chemical Structure Depiction of
2-methyl-3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate
2-methyl-3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | Y041-1683 |
| Compound Name: | 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate |
| Molecular Weight: | 570.6 |
| Molecular Formula: | C32 H30 N2 O8 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OC(C1CCC(CC1)CNC(=O)OCc1ccccc1)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3915 |
| logD: | 6.3915 |
| logSw: | -5.7334 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.147 |
| InChI Key: | FUSAIACDDFQJTJ-UHFFFAOYSA-N |