3-(4-chlorophenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(4-chlorophenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C200-0461 |
| Compound Name: | 3-(4-chlorophenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 441.89 |
| Molecular Formula: | C21 H16 Cl N3 O4 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccc(cc3)[N+]([O-])=O)c2sc1C)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1194 |
| logD: | 5.1194 |
| logSw: | -5.7359 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.489 |
| InChI Key: | OVKVGZCBQNCSBZ-UHFFFAOYSA-N |