N-(4-iodo-2-methylphenyl)-3-{[(pyrimidin-2-yl)sulfanyl]methyl}benzamide
Chemical Structure Depiction of
N-(4-iodo-2-methylphenyl)-3-{[(pyrimidin-2-yl)sulfanyl]methyl}benzamide
N-(4-iodo-2-methylphenyl)-3-{[(pyrimidin-2-yl)sulfanyl]methyl}benzamide
Compound characteristics
| Compound ID: | 8010-8085 |
| Compound Name: | N-(4-iodo-2-methylphenyl)-3-{[(pyrimidin-2-yl)sulfanyl]methyl}benzamide |
| Molecular Weight: | 461.32 |
| Molecular Formula: | C19 H16 I N3 O S |
| Smiles: | Cc1cc(ccc1NC(c1cccc(CSc2ncccn2)c1)=O)I |
| Stereo: | ACHIRAL |
| logP: | 4.8614 |
| logD: | 4.8369 |
| logSw: | -4.6109 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.518 |
| InChI Key: | FTWIEQJHSODXMZ-UHFFFAOYSA-N |