8-bromo-9-(methoxymethyl)-7-methyl-3-(3-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
8-bromo-9-(methoxymethyl)-7-methyl-3-(3-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
8-bromo-9-(methoxymethyl)-7-methyl-3-(3-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D148-0032 |
| Compound Name: | 8-bromo-9-(methoxymethyl)-7-methyl-3-(3-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 431.31 |
| Molecular Formula: | C18 H15 Br N4 O2 S |
| Smiles: | Cc1cccc(c1)N1C(c2c(c3c(COC)c(c(C)nc3s2)[Br])N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8372 |
| logD: | 4.8372 |
| logSw: | -5.0022 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.983 |
| InChI Key: | QQJVJEZNGCEKJU-UHFFFAOYSA-N |