7,9-dimethyl-2-{5-[(4-nitrophenoxy)methyl]furan-2-yl}pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7,9-dimethyl-2-{5-[(4-nitrophenoxy)methyl]furan-2-yl}pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7,9-dimethyl-2-{5-[(4-nitrophenoxy)methyl]furan-2-yl}pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
Compound ID: | Y503-4690 |
Compound Name: | 7,9-dimethyl-2-{5-[(4-nitrophenoxy)methyl]furan-2-yl}pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
Molecular Weight: | 472.48 |
Molecular Formula: | C23 H16 N6 O4 S |
Smiles: | Cc1cc(C)nc2c1c1c(c3nc(c4ccc(COc5ccc(cc5)[N+]([O-])=O)o4)nn3cn1)s2 |
Stereo: | ACHIRAL |
logP: | 5.0214 |
logD: | 4.8759 |
logSw: | -4.9801 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 88.477 |
InChI Key: | SVLGKVAJRSTPMV-UHFFFAOYSA-N |