(10Z)-10-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-7-(3-methoxyphenyl)-5,6a,7,12a-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Chemical Structure Depiction of
(10Z)-10-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-7-(3-methoxyphenyl)-5,6a,7,12a-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
(10Z)-10-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-7-(3-methoxyphenyl)-5,6a,7,12a-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Compound characteristics
| Compound ID: | 8014-3456 |
| Compound Name: | (10Z)-10-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-7-(3-methoxyphenyl)-5,6a,7,12a-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one |
| Molecular Weight: | 533.05 |
| Molecular Formula: | C29 H25 Cl N2 O4 S |
| Smiles: | COc1cccc(c1)C1C2CCc3ccccc3C2N=C2N1C(/C(=C/c1cc(c(c(c1)[Cl])O)OC)S2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5861 |
| logD: | 6.4623 |
| logSw: | -5.792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.684 |
| InChI Key: | JMWUQTXUDWURDB-UHFFFAOYSA-N |