N,N,5-trimethyl-3-(2-nitrophenyl)-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N,N,5-trimethyl-3-(2-nitrophenyl)-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
N,N,5-trimethyl-3-(2-nitrophenyl)-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0426 |
| Compound Name: | N,N,5-trimethyl-3-(2-nitrophenyl)-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 509.5 |
| Molecular Formula: | C23 H19 N5 O7 S |
| Smiles: | Cc1c2C(N(C(N(Cc3cccc(c3)[N+]([O-])=O)c2sc1C(N(C)C)=O)=O)c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0551 |
| logD: | 3.0551 |
| logSw: | -3.5084 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 113.269 |
| InChI Key: | CKBFBIKADPRCPE-UHFFFAOYSA-N |