8-bromo-3-(3-bromophenyl)-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-(3-bromophenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
8-bromo-3-(3-bromophenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D148-0122 |
| Compound Name: | 8-bromo-3-(3-bromophenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 496.18 |
| Molecular Formula: | C17 H12 Br2 N4 O2 S |
| Smiles: | Cc1c(c(COC)c2c3c(C(N(c4cccc(c4)[Br])N=N3)=O)sc2n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.1324 |
| logD: | 5.1324 |
| logSw: | -5.2962 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.983 |
| InChI Key: | JXTMPTDJXNLSBC-UHFFFAOYSA-N |