2-[(4-nitrophenoxy)methyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[(4-nitrophenoxy)methyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(4-nitrophenoxy)methyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-3785 |
| Compound Name: | 2-[(4-nitrophenoxy)methyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C17 H13 N5 O3 S |
| Smiles: | C1Cc2c3c4nc(COc5ccc(cc5)[N+]([O-])=O)nn4C=Nc3sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.1445 |
| logD: | 3.1444 |
| logSw: | -3.5529 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.813 |
| InChI Key: | DQKSCXDUTDEALB-UHFFFAOYSA-N |