2-({3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-({3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-({3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | 4760-1092 |
| Compound Name: | 2-({3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 441.3 |
| Molecular Formula: | C20 H13 Br N2 O3 S |
| Smiles: | COc1cc(/C=C2/C(n3c4ccccc4nc3S2)=O)cc(c1OCC#C)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3331 |
| logD: | 4.3331 |
| logSw: | -4.4522 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.674 |
| InChI Key: | RMBBCNWRPLYLLF-UHFFFAOYSA-N |