N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Compound characteristics
| Compound ID: | C241-1668 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide |
| Molecular Weight: | 617.72 |
| Molecular Formula: | C32 H35 N5 O6 S |
| Smiles: | C(CCC(NCc1ccc2c(c1)OCO2)=O)CCN1C(c2c(ccs2)N(CC(N2CCN(CC2)c2ccccc2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4499 |
| logD: | 3.4498 |
| logSw: | -3.8334 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.503 |
| InChI Key: | YYBJWXPDKBNDEK-UHFFFAOYSA-N |