3-(3,4-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
3-(3,4-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Compound characteristics
| Compound ID: | C258-0535 |
| Compound Name: | 3-(3,4-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C26 H25 N3 O4 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCCCc3sc2N(Cc2cccc(c2)[N+]([O-])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5473 |
| logD: | 6.5473 |
| logSw: | -5.5295 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.74 |
| InChI Key: | KHOYPDSRAMUYEA-UHFFFAOYSA-N |