3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate
Chemical Structure Depiction of
3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate
3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | Y041-1408 |
| Compound Name: | 3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate |
| Molecular Weight: | 574.07 |
| Molecular Formula: | C33 H32 Cl N O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(c(cc12)[Cl])OC([C@@H]1CC[C@H](CC1)CNC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5321 |
| logD: | 7.5321 |
| logSw: | -6.3673 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.415 |
| InChI Key: | KFBJEIKHZZHROP-UHFFFAOYSA-N |