4-({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}methyl)-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({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}methyl)-N-[(furan-2-yl)methyl]benzamide
4-({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}methyl)-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C241-1952 |
| Compound Name: | 4-({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}methyl)-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 539.57 |
| Molecular Formula: | C28 H21 N5 O5 S |
| Smiles: | C(c1ccco1)NC(c1ccc(CN2C(c3c(ccs3)N(CC3=CC(N4C=CC=CC4=N3)=O)C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.129 |
| logD: | 3.129 |
| logSw: | -3.4397 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.434 |
| InChI Key: | SHVMZUFQGCDQTG-UHFFFAOYSA-N |