3-(3,4-dimethylphenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(3,4-dimethylphenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C200-0732 |
| Compound Name: | 3-(3,4-dimethylphenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c(C)c(C)sc2N(Cc2ccc(cc2)[N+]([O-])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6572 |
| logD: | 5.6572 |
| logSw: | -5.4938 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.489 |
| InChI Key: | LWMGVPRBMBYNJE-UHFFFAOYSA-N |