2-[(3,4-dimethylphenoxy)methyl]-6-iodo-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
2-[(3,4-dimethylphenoxy)methyl]-6-iodo-4H-3,1-benzoxazin-4-one
2-[(3,4-dimethylphenoxy)methyl]-6-iodo-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 8010-2791 |
| Compound Name: | 2-[(3,4-dimethylphenoxy)methyl]-6-iodo-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 407.21 |
| Molecular Formula: | C17 H14 I N O3 |
| Smiles: | Cc1ccc(cc1C)OCC1=Nc2ccc(cc2C(=O)O1)I |
| Stereo: | ACHIRAL |
| logP: | 5.2705 |
| logD: | 5.2705 |
| logSw: | -5.3147 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.831 |
| InChI Key: | XXCXFLOWJNYQHB-UHFFFAOYSA-N |