methyl N-{[(3-benzyl-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}glycinate
Chemical Structure Depiction of
methyl N-{[(3-benzyl-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}glycinate
methyl N-{[(3-benzyl-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}glycinate
Compound characteristics
| Compound ID: | Y041-0537 |
| Compound Name: | methyl N-{[(3-benzyl-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}glycinate |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C27 H29 N O7 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c3CCC(C)(C)Oc3cc(c12)OCC(NCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1362 |
| logD: | 4.1362 |
| logSw: | -4.6429 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.542 |
| InChI Key: | TYEJYEYCHMWDPU-UHFFFAOYSA-N |