N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide
Compound characteristics
| Compound ID: | C241-1404 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2,4-dioxo-1-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide |
| Molecular Weight: | 528.58 |
| Molecular Formula: | C25 H28 N4 O7 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(c2c(ccs2)N(CC(NCC2CCCO2)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9093 |
| logD: | 0.9093 |
| logSw: | -2.397 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.976 |
| InChI Key: | KELMSFOIMNISKU-QGZVFWFLSA-N |