5,6-dimethyl-1-[(3-nitrophenyl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5,6-dimethyl-1-[(3-nitrophenyl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
5,6-dimethyl-1-[(3-nitrophenyl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-0956 |
| Compound Name: | 5,6-dimethyl-1-[(3-nitrophenyl)methyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(N(Cc3cccc(c3)[N+]([O-])=O)c2sc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3155 |
| logD: | 5.3155 |
| logSw: | -5.3995 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.078 |
| InChI Key: | CSJGDQYTBXGVJC-UHFFFAOYSA-N |