3-(3,4-dichlorophenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(3,4-dichlorophenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-1064 |
| Compound Name: | 3-(3,4-dichlorophenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 476.34 |
| Molecular Formula: | C21 H15 Cl2 N3 O4 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccc(cc3)[N+]([O-])=O)c2sc1C)=O)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8637 |
| logD: | 5.8637 |
| logSw: | -6.3204 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.489 |
| InChI Key: | MZHBHCCGYUPKPV-UHFFFAOYSA-N |