3-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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: | C258-0517 |
| Compound Name: | 3-(3,4-dimethylphenyl)-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: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCCCc3sc2N(CC2=CC(N3C=CC=CC3=N2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9539 |
| logD: | 4.9539 |
| logSw: | -4.7421 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.345 |
| InChI Key: | QBEJYPIMMRBDTB-UHFFFAOYSA-N |