2-[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
Compound ID: | 8008-2831 |
Compound Name: | 2-[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
Molecular Weight: | 465.22 |
Molecular Formula: | C16 H8 I N3 O4 S |
Smiles: | C(=C1/C(n2c3ccccc3nc2S1)=O)\c1cc(c(c(c1)I)O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.3453 |
logD: | 2.3706 |
logSw: | -4.4714 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.012 |
InChI Key: | OCRBPDYRGGEWNA-UHFFFAOYSA-N |