methyl (2-{2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}-1,3-thiazol-4-yl)acetate
Chemical Structure Depiction of
methyl (2-{2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}-1,3-thiazol-4-yl)acetate
methyl (2-{2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}-1,3-thiazol-4-yl)acetate
Compound characteristics
| Compound ID: | Y042-3254 |
| Compound Name: | methyl (2-{2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}-1,3-thiazol-4-yl)acetate |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C23 H24 N2 O7 S |
| Smiles: | CC1=CC(=O)Oc2c3CCC(C)(C)Oc3cc(c12)OCC(Nc1nc(CC(=O)OC)cs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7037 |
| logD: | 3.7016 |
| logSw: | -4.3637 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.247 |
| InChI Key: | CKQKDBOWPMLGCW-UHFFFAOYSA-N |