2-bromo-4-({3,7-dioxo-6-[(4-propoxyphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)-6-methoxyphenyl acetate
Chemical Structure Depiction of
2-bromo-4-({3,7-dioxo-6-[(4-propoxyphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)-6-methoxyphenyl acetate
2-bromo-4-({3,7-dioxo-6-[(4-propoxyphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | C451-0237 |
| Compound Name: | 2-bromo-4-({3,7-dioxo-6-[(4-propoxyphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)-6-methoxyphenyl acetate |
| Molecular Weight: | 572.43 |
| Molecular Formula: | C25 H22 Br N3 O6 S |
| Smiles: | CCCOc1ccc(CC2C(N=C3N(C(/C(=C/c4cc(c(c(c4)[Br])OC(C)=O)OC)S3)=O)N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.218 |
| logD: | 4.218 |
| logSw: | -4.4488 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.524 |
| InChI Key: | RHHZPEIFWWNGMA-UHFFFAOYSA-N |