2-({3-chloro-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-({3-chloro-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-({3-chloro-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | 8012-2373 |
| Compound Name: | 2-({3-chloro-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 424.9 |
| Molecular Formula: | C22 H17 Cl N2 O3 S |
| Smiles: | Cc1cc2c(cc1C)n1C(/C(=C/c3cc(c(c(c3)[Cl])OCC#C)OC)Sc1n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5341 |
| logD: | 5.5341 |
| logSw: | -5.9441 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.674 |
| InChI Key: | JNGVUOKQLMOPKS-UHFFFAOYSA-N |