N-(2,6-dimethylphenyl)-2-[(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-[(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
N-(2,6-dimethylphenyl)-2-[(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C683-0141 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-[(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | CCOc1cccc2Cc3c(nc(c4ccccc4)nc3SCC(Nc3c(C)cccc3C)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 7.0921 |
| logD: | 7.0891 |
| logSw: | -5.8481 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.779 |
| InChI Key: | ALFRHIHWMURDDA-UHFFFAOYSA-N |