3-(3,4-dimethylphenyl)-1-[(6-methyl-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-[(6-methyl-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-[(6-methyl-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: | C258-0527 |
| Compound Name: | 3-(3,4-dimethylphenyl)-1-[(6-methyl-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: | 512.63 |
| Molecular Formula: | C29 H28 N4 O3 S |
| Smiles: | CC1=CC=CC2=NC(CN3C(N(C(c4c5CCCCCc5sc34)=O)c3ccc(C)c(C)c3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2607 |
| logD: | 5.2607 |
| logSw: | -5.0464 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.01 |
| InChI Key: | GLRXOHUTNXPUSL-UHFFFAOYSA-N |