3-(4-chlorophenyl)-1-[(4-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-(4-chlorophenyl)-1-[(4-nitrophenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
3-(4-chlorophenyl)-1-[(4-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: | C258-0565 |
| Compound Name: | 3-(4-chlorophenyl)-1-[(4-nitrophenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 481.96 |
| Molecular Formula: | C24 H20 Cl N3 O4 S |
| Smiles: | C1CCc2c3C(N(C(N(Cc4ccc(cc4)[N+]([O-])=O)c3sc2CC1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.073 |
| logD: | 6.073 |
| logSw: | -6.5073 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.74 |
| InChI Key: | NKWFTUBQYCRWFL-UHFFFAOYSA-N |