7-acetyl-3-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-acetyl-3-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
7-acetyl-3-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C728-0198 |
| Compound Name: | 7-acetyl-3-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 497.97 |
| Molecular Formula: | C25 H21 Cl F N3 O3 S |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccccc4)C(N(Cc4c(cccc4[Cl])F)c3sc2C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.717 |
| logD: | 4.717 |
| logSw: | -5.0165 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.768 |
| InChI Key: | OZSNMESNLQUJCP-UHFFFAOYSA-N |