2-(4-chlorophenyl)-5-[(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-5-[(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-chlorophenyl)-5-[(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 4341-3200 |
| Compound Name: | 2-(4-chlorophenyl)-5-[(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 538.03 |
| Molecular Formula: | C29 H20 Cl N5 O2 S |
| Smiles: | C=CCOc1ccc(cc1)c1c(/C=C2/C(n3c(nc(c4ccc(cc4)[Cl])n3)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.8152 |
| logD: | 6.8152 |
| logSw: | -6.4825 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.246 |
| InChI Key: | PMSSNPIKIAHVBV-UHFFFAOYSA-N |