3-(3,4-dichlorophenyl)-N,N,5-trimethyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-N,N,5-trimethyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
3-(3,4-dichlorophenyl)-N,N,5-trimethyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0053 |
| Compound Name: | 3-(3,4-dichlorophenyl)-N,N,5-trimethyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 533.39 |
| Molecular Formula: | C23 H18 Cl2 N4 O5 S |
| Smiles: | Cc1c2C(N(C(N(Cc3cccc(c3)[N+]([O-])=O)c2sc1C(N(C)C)=O)=O)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3482 |
| logD: | 4.3482 |
| logSw: | -4.7754 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.489 |
| InChI Key: | FGVZMBXGNVLIRG-UHFFFAOYSA-N |