benzyl [3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate
Chemical Structure Depiction of
benzyl [3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate
benzyl [3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate
Compound characteristics
| Compound ID: | C241-1463 |
| Compound Name: | benzyl [3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate |
| Molecular Weight: | 521.55 |
| Molecular Formula: | C26 H23 N3 O7 S |
| Smiles: | C(CN1C(c2c(ccs2)N(CC(=O)OCc2ccccc2)C1=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4246 |
| logD: | 3.4246 |
| logSw: | -3.8033 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.385 |
| InChI Key: | DSMNMLPZZBCPFD-UHFFFAOYSA-N |