1-[(2-cyanophenyl)methyl]-N,N,5-trimethyl-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
1-[(2-cyanophenyl)methyl]-N,N,5-trimethyl-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
1-[(2-cyanophenyl)methyl]-N,N,5-trimethyl-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0427 |
| Compound Name: | 1-[(2-cyanophenyl)methyl]-N,N,5-trimethyl-3-(2-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 489.51 |
| Molecular Formula: | C24 H19 N5 O5 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccccc3C#N)c2sc1C(N(C)C)=O)=O)c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8582 |
| logD: | 2.8582 |
| logSw: | -3.5547 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 96.943 |
| InChI Key: | NCKCWSUCJQQVJL-UHFFFAOYSA-N |