8-bromo-3-(2,4-dimethylphenyl)-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
8-bromo-3-(2,4-dimethylphenyl)-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
8-bromo-3-(2,4-dimethylphenyl)-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Compound characteristics
Compound ID: | D148-0037 |
Compound Name: | 8-bromo-3-(2,4-dimethylphenyl)-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one |
Molecular Weight: | 415.31 |
Molecular Formula: | C18 H15 Br N4 O S |
Smiles: | Cc1ccc(c(C)c1)N1C(c2c(c3c(C)c(c(C)nc3s2)[Br])N=N1)=O |
Stereo: | ACHIRAL |
logP: | 5.8585 |
logD: | 5.8585 |
logSw: | -5.7477 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 47.258 |
InChI Key: | JWGSGTDIMJHEBQ-UHFFFAOYSA-N |