3-(3,4-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
3-(3,4-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Compound characteristics
| Compound ID: | C200-0541 |
| Compound Name: | 3-(3,4-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCc3sc2N(Cc2cccc(c2)[N+]([O-])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6411 |
| logD: | 5.6411 |
| logSw: | -5.3821 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.775 |
| InChI Key: | XMKJCRXDXNDOER-UHFFFAOYSA-N |