6,8-dimethyl-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
6,8-dimethyl-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
6,8-dimethyl-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | 2367-1171 |
| Compound Name: | 6,8-dimethyl-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 395.39 |
| Molecular Formula: | C19 H13 N3 O5 S |
| Smiles: | Cc1cc(C)c2c(c1)n1C(/C(=C/c3cc4c(cc3[N+]([O-])=O)OCO4)Sc1n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2067 |
| logD: | 4.2067 |
| logSw: | -4.4517 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.419 |
| InChI Key: | WWXQLCJEPMGOBK-UHFFFAOYSA-N |