methyl (2E,5RS)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Chemical Structure Depiction of
methyl (2E,5RS)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
methyl (2E,5RS)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Compound characteristics
| Compound ID: | 8014-9874 |
| Compound Name: | methyl (2E,5RS)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate |
| Molecular Weight: | 491.35 |
| Molecular Formula: | C22 H16 Cl2 N2 O5 S |
| Smiles: | C[C@]12C(C(c3ccccc3O2)N2C(=N1)SC(=C\c1cc(cc(c1O)[Cl])[Cl])\C2=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9314 |
| logD: | 4.4829 |
| logSw: | -4.6664 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.046 |
| InChI Key: | LFMORCUBRZHHQC-XWTGJVNOSA-N |