methyl (7-{2-[(cyclohexylmethyl)amino]-2-oxoethoxy}-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (7-{2-[(cyclohexylmethyl)amino]-2-oxoethoxy}-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
methyl (7-{2-[(cyclohexylmethyl)amino]-2-oxoethoxy}-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | Y040-8214 |
| Compound Name: | methyl (7-{2-[(cyclohexylmethyl)amino]-2-oxoethoxy}-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C22 H27 N O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCC(NCC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0574 |
| logD: | 3.0574 |
| logSw: | -3.4525 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.63 |
| InChI Key: | VMHGRNBDNDYTOJ-UHFFFAOYSA-N |