N,N,9-trimethyl-2-[(4-nitrophenoxy)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
Chemical Structure Depiction of
N,N,9-trimethyl-2-[(4-nitrophenoxy)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
N,N,9-trimethyl-2-[(4-nitrophenoxy)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
Compound characteristics
| Compound ID: | Y502-6474 |
| Compound Name: | N,N,9-trimethyl-2-[(4-nitrophenoxy)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide |
| Molecular Weight: | 412.43 |
| Molecular Formula: | C18 H16 N6 O4 S |
| Smiles: | Cc1c2c3nc(COc4ccc(cc4)[N+]([O-])=O)nn3cnc2sc1C(N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0339 |
| logD: | 2.0308 |
| logSw: | -2.6471 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.991 |
| InChI Key: | GONQUOLPUDPLQY-UHFFFAOYSA-N |