3-(3,5-dimethoxyphenyl)-1-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-1-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-(3,5-dimethoxyphenyl)-1-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C241-1811 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-1-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 439.45 |
| Molecular Formula: | C21 H17 N3 O6 S |
| Smiles: | COc1cc(cc(c1)OC)N1C(c2c(ccs2)N(Cc2cccc(c2)[N+]([O-])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1717 |
| logD: | 4.1717 |
| logSw: | -4.4344 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.143 |
| InChI Key: | OUCIJJCKVSRWQR-UHFFFAOYSA-N |