N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]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-{[2-(3,4-dimethoxyphenyl)ethyl]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-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | K292-1340 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide |
| Molecular Weight: | 624.74 |
| Molecular Formula: | C30 H32 N4 O7 S2 |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3ccsc3C(N2CCCC(NCc2ccc3c(c2)OCO3)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1623 |
| logD: | 2.1623 |
| logSw: | -2.863 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.928 |
| InChI Key: | HTVBOGKOBBWTEU-UHFFFAOYSA-N |