2-{4-[(7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-2-methoxyphenoxy}propanoic acid
Chemical Structure Depiction of
2-{4-[(7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-2-methoxyphenoxy}propanoic acid
2-{4-[(7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-2-methoxyphenoxy}propanoic acid
Compound characteristics
| Compound ID: | 3277-0327 |
| Compound Name: | 2-{4-[(7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-2-methoxyphenoxy}propanoic acid |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C22 H20 N2 O5 S |
| Smiles: | CC(C(O)=O)Oc1ccc(/C=C2/C(n3c4ccc(C)c(C)c4nc3S2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9518 |
| logD: | -0.0476 |
| logSw: | -4.0332 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.137 |
| InChI Key: | XBXOWPHMGVKOCQ-ZDUSSCGKSA-N |