2-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | 4759-9021 |
| Compound Name: | 2-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 418.22 |
| Molecular Formula: | C16 H8 Br N3 O4 S |
| Smiles: | C(=C1/C(n2c3ccccc3nc2S1)=O)\c1cc(c(c(c1)[Br])O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8734 |
| logD: | 1.9129 |
| logSw: | -4.0875 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.012 |
| InChI Key: | FMCSDZQAPJKYQV-UHFFFAOYSA-N |