3-(4-chlorophenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)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-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)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-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)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: | C258-0658 |
| Compound Name: | 3-(4-chlorophenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 504.99 |
| Molecular Formula: | C26 H21 Cl N4 O3 S |
| Smiles: | C1CCc2c3C(N(C(N(CC4=CC(N5C=CC=CC5=N4)=O)c3sc2CC1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4161 |
| logD: | 4.4161 |
| logSw: | -5.0435 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.345 |
| InChI Key: | AHMDKOLOQNQTPO-UHFFFAOYSA-N |