1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6-dimethyl-3-(2-phenylethyl)thieno[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]-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-0952 |
| Compound Name: | 1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 492.98 |
| Molecular Formula: | C25 H21 Cl N4 O3 S |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(N(CC3=CC(N4C=C(C=CC4=N3)[Cl])=O)c2sc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9172 |
| logD: | 3.9172 |
| logSw: | -4.6614 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.202 |
| InChI Key: | XNSOODHGWFGZHT-UHFFFAOYSA-N |