N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-({2-[(butan-2-yl)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-[(butan-2-yl)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-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K292-1350 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C24 H28 N4 O5 S2 |
| Smiles: | CCC(C)NC(CSC1=Nc2ccsc2C(N1CCCC(NCc1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3364 |
| logD: | 2.3364 |
| logSw: | -2.8479 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.539 |
| InChI Key: | CLQQEOPJAQLECO-HNNXBMFYSA-N |