N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-{[(3-methylphenyl)methyl]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-{[(3-methylphenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K292-1315 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 507.63 |
| Molecular Formula: | C26 H25 N3 O4 S2 |
| Smiles: | Cc1cccc(CSC2=Nc3ccsc3C(N2CCCC(NCc2ccc3c(c2)OCO3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4379 |
| logD: | 4.4379 |
| logSw: | -4.2733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.355 |
| InChI Key: | CDBFIWWQUFKCHH-UHFFFAOYSA-N |