N-[(2-chlorophenyl)methyl]-3-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-3-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-[(2-chlorophenyl)methyl]-3-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-2064 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-3-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 521.98 |
| Molecular Formula: | C25 H20 Cl N5 O4 S |
| Smiles: | C(CN1C(c2c(ccs2)N(CC2=CC(N3C=CC=CC3=N2)=O)C1=O)=O)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8611 |
| logD: | 2.8611 |
| logSw: | -3.4465 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.722 |
| InChI Key: | SJJCKONTJJFXMY-UHFFFAOYSA-N |