2-{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C683-0701 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 488.01 |
| Molecular Formula: | C27 H22 Cl N3 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSc1c2Cc3cccc(C)c3Oc2nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.0781 |
| logD: | 8.0751 |
| logSw: | -6.4687 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.964 |
| InChI Key: | XCOMUELXEQPFAS-UHFFFAOYSA-N |