1-{[(8,8-dimethyl-2,3,9,10-tetrahydro-8H-cyclopenta[d]benzo[1,2-b:5,4-b']dipyran-4(1H)-ylidene)amino]oxy}ethan-1-one
Chemical Structure Depiction of
1-{[(8,8-dimethyl-2,3,9,10-tetrahydro-8H-cyclopenta[d]benzo[1,2-b:5,4-b']dipyran-4(1H)-ylidene)amino]oxy}ethan-1-one
1-{[(8,8-dimethyl-2,3,9,10-tetrahydro-8H-cyclopenta[d]benzo[1,2-b:5,4-b']dipyran-4(1H)-ylidene)amino]oxy}ethan-1-one
Compound characteristics
| Compound ID: | Y041-2058 |
| Compound Name: | 1-{[(8,8-dimethyl-2,3,9,10-tetrahydro-8H-cyclopenta[d]benzo[1,2-b:5,4-b']dipyran-4(1H)-ylidene)amino]oxy}ethan-1-one |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C19 H21 N O4 |
| Smiles: | CC(=O)O/N=C1/C2CCCC=2c2cc3CCC(C)(C)Oc3cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.6379 |
| logD: | 3.6379 |
| logSw: | -3.8373 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.79 |
| InChI Key: | SMWYPSIELXVPNG-UHFFFAOYSA-N |