3-[2-(4-chlorophenyl)ethyl]-N,N,5-trimethyl-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)ethyl]-N,N,5-trimethyl-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[2-(4-chlorophenyl)ethyl]-N,N,5-trimethyl-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K285-5151 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-N,N,5-trimethyl-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 566.1 |
| Molecular Formula: | C27 H24 Cl N5 O3 S2 |
| Smiles: | Cc1c2C(N(CCc3ccc(cc3)[Cl])C(=Nc2sc1C(N(C)C)=O)SCC1=CC(N2C=CC=CC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3765 |
| logD: | 3.3765 |
| logSw: | -4.2151 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.639 |
| InChI Key: | XBBRKKDTJBXTIU-UHFFFAOYSA-N |