2-bromo-4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-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-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)-6-methoxyphenyl acetate
2-bromo-4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | C451-0140 |
| Compound Name: | 2-bromo-4-({6-[(4-fluorophenyl)methyl]-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)-6-methoxyphenyl acetate |
| Molecular Weight: | 532.34 |
| Molecular Formula: | C22 H15 Br F N3 O5 S |
| Smiles: | CC(=O)Oc1c(cc(\C=C2/C(N3C(=NC(C(Cc4ccc(cc4)F)=N3)=O)S2)=O)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 3.2877 |
| logD: | 3.2877 |
| logSw: | -3.6177 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.107 |
| InChI Key: | SFMBEAXHIWEEGG-UHFFFAOYSA-N |