N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide
Compound characteristics
| Compound ID: | C241-1315 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide |
| Molecular Weight: | 514.56 |
| Molecular Formula: | C24 H26 N4 O7 S |
| Smiles: | C1CC(CNC(CN2C(N(CCC(NCc3ccc4c(c3)OCO4)=O)C(c3c2ccs3)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1626 |
| logD: | 1.1626 |
| logSw: | -2.4651 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.976 |
| InChI Key: | QBXABRCBPTYMNQ-MRXNPFEDSA-N |