3-(2-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3-thiazol-4-yl)-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(2-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3-thiazol-4-yl)-6-methoxy-2H-1-benzopyran-2-one
3-(2-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3-thiazol-4-yl)-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K232-0392 |
| Compound Name: | 3-(2-{3-chloro-4-[(1-chloronaphthalen-2-yl)oxy]anilino}-1,3-thiazol-4-yl)-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 561.44 |
| Molecular Formula: | C29 H18 Cl2 N2 O4 S |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)c2csc(Nc3ccc(c(c3)[Cl])Oc3ccc4ccccc4c3[Cl])n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.5562 |
| logD: | 8.5562 |
| logSw: | -7.0973 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.041 |
| InChI Key: | DMSJXAWWOSZWHQ-UHFFFAOYSA-N |