1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-0006 |
| Compound Name: | 1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 508.98 |
| Molecular Formula: | C25 H21 Cl N4 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c(C)c(C)sc2N(CC2=CC(N3C=C(C=CC3=N2)[Cl])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4319 |
| logD: | 3.4319 |
| logSw: | -4.2029 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.736 |
| InChI Key: | IWOFJVRCHBDJKE-UHFFFAOYSA-N |