N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-oxo-2-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-oxo-2-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-oxo-2-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K292-1334 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-oxo-2-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C23 H21 N5 O5 S3 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2ccsc2C1=O)SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3551 |
| logD: | 2.3548 |
| logSw: | -2.9465 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.982 |
| InChI Key: | HLXLMAODYLYFTR-UHFFFAOYSA-N |