N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide
Compound characteristics
| Compound ID: | C241-1667 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide |
| Molecular Weight: | 552.61 |
| Molecular Formula: | C26 H28 N6 O6 S |
| Smiles: | Cc1cc(NC(CN2C(N(CCCCCC(NCc3ccc4c(c3)OCO4)=O)C(c3c2ccs3)=O)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.355 |
| logD: | 2.3545 |
| logSw: | -2.962 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.135 |
| InChI Key: | ORWOQMRVBAMGEE-UHFFFAOYSA-N |