3-{2,5-dimethyl-3-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{2,5-dimethyl-3-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
3-{2,5-dimethyl-3-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 4724-5675 |
| Compound Name: | 3-{2,5-dimethyl-3-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C23 H17 N3 O3 S |
| Smiles: | Cc1cc(\C=C2/C(n3c4ccccc4nc3S2)=O)c(C)n1c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4006 |
| logD: | -0.2314 |
| logSw: | -4.3715 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.526 |
| InChI Key: | CIUHESIPAWCHNN-UHFFFAOYSA-N |