3-(2,4-dimethoxyphenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Chemical Structure Depiction of
3-(2,4-dimethoxyphenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
3-(2,4-dimethoxyphenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Compound characteristics
| Compound ID: | C258-0494 |
| Compound Name: | 3-(2,4-dimethoxyphenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 502.55 |
| Molecular Formula: | C26 H22 N4 O5 S |
| Smiles: | COc1ccc(c(c1)OC)N1C(c2c3CCCc3sc2N(CC2=CC(N3C=CC=CC3=N2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1182 |
| logD: | 3.1182 |
| logSw: | -3.5386 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.253 |
| InChI Key: | WQVKCGJLRHICEE-UHFFFAOYSA-N |