8-bromo-3-(4-ethoxyphenyl)-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-ethoxyphenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
8-bromo-3-(4-ethoxyphenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Compound characteristics
Compound ID: | D148-0001 |
Compound Name: | 8-bromo-3-(4-ethoxyphenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one |
Molecular Weight: | 461.34 |
Molecular Formula: | C19 H17 Br N4 O3 S |
Smiles: | CCOc1ccc(cc1)N1C(c2c(c3c(COC)c(c(C)nc3s2)[Br])N=N1)=O |
Stereo: | ACHIRAL |
logP: | 4.703 |
logD: | 4.703 |
logSw: | -4.6791 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 63.106 |
InChI Key: | GWEKMVRRNXXSHV-UHFFFAOYSA-N |