8-bromo-3-(4-ethylphenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
8-bromo-3-(4-ethylphenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
8-bromo-3-(4-ethylphenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D148-0182 |
| Compound Name: | 8-bromo-3-(4-ethylphenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 445.34 |
| Molecular Formula: | C19 H17 Br N4 O2 S |
| Smiles: | CCc1ccc(cc1)N1C(c2c(c3c(COC)c(c(C)nc3s2)[Br])N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2647 |
| logD: | 5.2647 |
| logSw: | -5.2748 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.983 |
| InChI Key: | NIVGXXGEACPYND-UHFFFAOYSA-N |