3-benzyl-8-bromo-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-8-bromo-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
3-benzyl-8-bromo-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D148-0432 |
| Compound Name: | 3-benzyl-8-bromo-9-(methoxymethyl)-7-methylpyrido[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: | Cc1c(c(COC)c2c3c(C(N(Cc4ccccc4)N=N3)=O)sc2n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.2808 |
| logD: | 4.2808 |
| logSw: | -4.6605 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.402 |
| InChI Key: | XYRBHESGQMJUFO-UHFFFAOYSA-N |