2-[4-(pentyloxy)phenyl]-5-{[4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-[4-(pentyloxy)phenyl]-5-{[4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-[4-(pentyloxy)phenyl]-5-{[4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0043 |
| Compound Name: | 2-[4-(pentyloxy)phenyl]-5-{[4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C27 H31 N3 O3 S |
| Smiles: | CCCCCOc1ccc(\C=C2/C(n3c(nc(c4ccc(cc4)OCCCCC)n3)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 8.0562 |
| logD: | 8.0562 |
| logSw: | -5.6773 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.031 |
| InChI Key: | SKARYWBRYWZJRD-UHFFFAOYSA-N |