2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C683-0478 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 488.01 |
| Molecular Formula: | C27 H22 Cl N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CSc1c2Cc3ccccc3Oc2nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.959 |
| logD: | 7.956 |
| logSw: | -6.4129 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.28 |
| InChI Key: | HHSOHPTWYUATFG-UHFFFAOYSA-N |