8,9-dimethyl-2-[(4-nitrophenoxy)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
8,9-dimethyl-2-[(4-nitrophenoxy)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
8,9-dimethyl-2-[(4-nitrophenoxy)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-7083 |
| Compound Name: | 8,9-dimethyl-2-[(4-nitrophenoxy)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 355.37 |
| Molecular Formula: | C16 H13 N5 O3 S |
| Smiles: | Cc1c2c3nc(COc4ccc(cc4)[N+]([O-])=O)nn3cnc2sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.3928 |
| logD: | 3.391 |
| logSw: | -3.8674 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.991 |
| InChI Key: | KMDHVZOKKMKTLP-UHFFFAOYSA-N |