N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | K292-1359 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide |
| Molecular Weight: | 564.68 |
| Molecular Formula: | C28 H28 N4 O5 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3ccsc3C(N2CCCC(NCc2ccc3c(c2)OCO3)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2939 |
| logD: | 3.2939 |
| logSw: | -3.5329 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.826 |
| InChI Key: | NINDOCQZITZMQI-UHFFFAOYSA-N |