N-[(furan-2-yl)methyl]-4-{[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-{[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}benzamide
N-[(furan-2-yl)methyl]-4-{[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C241-1947 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-{[1-{2-[methyl(phenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}benzamide |
| Molecular Weight: | 528.59 |
| Molecular Formula: | C28 H24 N4 O5 S |
| Smiles: | CN(C(CN1C(N(Cc2ccc(cc2)C(NCc2ccco2)=O)C(c2c1ccs2)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4414 |
| logD: | 3.4413 |
| logSw: | -3.8076 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.561 |
| InChI Key: | JIMKTNLKFCMDDB-UHFFFAOYSA-N |