2-({3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-6,8-dimethyl[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)-6,8-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-({3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-6,8-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | 3615-0064 |
| Compound Name: | 2-({3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-6,8-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 469.36 |
| Molecular Formula: | C22 H17 Br N2 O3 S |
| Smiles: | Cc1cc(C)c2c(c1)n1C(/C(=C/c3cc(c(c(c3)[Br])OCC#C)OC)Sc1n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2171 |
| logD: | 5.2171 |
| logSw: | -4.9997 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.444 |
| InChI Key: | QOYKKJZWAJBJOV-UHFFFAOYSA-N |