2-methylpropyl 4-(8-bromo-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl)benzoate
Chemical Structure Depiction of
2-methylpropyl 4-(8-bromo-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl)benzoate
2-methylpropyl 4-(8-bromo-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl)benzoate
Compound characteristics
| Compound ID: | D369-0101 |
| Compound Name: | 2-methylpropyl 4-(8-bromo-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl)benzoate |
| Molecular Weight: | 487.37 |
| Molecular Formula: | C21 H19 Br N4 O3 S |
| Smiles: | CC(C)COC(c1ccc(cc1)N1C(c2c(c3c(C)c(c(C)nc3s2)[Br])N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0857 |
| logD: | 6.0857 |
| logSw: | -5.877 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.688 |
| InChI Key: | RAIROUMCMICEAE-UHFFFAOYSA-N |