2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5606-3351 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C27 H29 N3 O5 S |
| Smiles: | CCCCCCCOc1ccc(/C=C2/C(n3c(nc(C4COc5ccccc5O4)n3)S2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3455 |
| logD: | 6.3455 |
| logSw: | -5.3555 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.768 |
| InChI Key: | NHFOUPYGTYKZNT-QHCPKHFHSA-N |