4-{[1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methylcyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methylcyclohexane-1-carboxamide
4-{[1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methylcyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G346-0182 |
| Compound Name: | 4-{[1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-methylcyclohexane-1-carboxamide |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C24 H26 N4 O6 S |
| Smiles: | CNC(C1CCC(CC1)CN1C(c2c(ccs2)N(CC(Nc2ccc3c(c2)OCO3)=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1555 |
| logD: | 3.1554 |
| logSw: | -3.3692 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.577 |
| InChI Key: | ZKVIVDKFUMIQNW-UHFFFAOYSA-N |