3-bromo-N-[2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
Chemical Structure Depiction of
3-bromo-N-[2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
3-bromo-N-[2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
Compound characteristics
| Compound ID: | K292-1837 |
| Compound Name: | 3-bromo-N-[2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide |
| Molecular Weight: | 486.41 |
| Molecular Formula: | C21 H16 Br N3 O2 S2 |
| Smiles: | Cc1cccc(CSC2=Nc3ccsc3C(N2NC(c2cccc(c2)[Br])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2393 |
| logD: | 5.2372 |
| logSw: | -5.074 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.191 |
| InChI Key: | KTRMWSMKSQVMKB-UHFFFAOYSA-N |