butyl 4-[9-(methoxymethyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate
Chemical Structure Depiction of
butyl 4-[9-(methoxymethyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate
butyl 4-[9-(methoxymethyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | D148-5021 |
| Compound Name: | butyl 4-[9-(methoxymethyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | CCCCOC(c1ccc(cc1)N1C(c2c(c3c(COC)cc(C)nc3s2)N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0654 |
| logD: | 5.0654 |
| logSw: | -5.0775 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.26 |
| InChI Key: | NBVFGKRUKKMNLA-UHFFFAOYSA-N |