3-bromo-N-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}benzamide
Chemical Structure Depiction of
3-bromo-N-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}benzamide
3-bromo-N-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}benzamide
Compound characteristics
| Compound ID: | K292-1839 |
| Compound Name: | 3-bromo-N-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}benzamide |
| Molecular Weight: | 543.46 |
| Molecular Formula: | C23 H19 Br N4 O3 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3ccsc3C(N2NC(c2cccc(c2)[Br])=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0954 |
| logD: | 4.0923 |
| logSw: | -4.1816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.662 |
| InChI Key: | YFGSWGSOYRQTDA-UHFFFAOYSA-N |