2-{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
2-{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | C683-0705 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide |
| Molecular Weight: | 488.01 |
| Molecular Formula: | C27 H22 Cl N3 O2 S |
| Smiles: | Cc1cccc2Cc3c(nc(c4ccc(cc4)[Cl])nc3SCC(N(C)c3ccccc3)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 7.1598 |
| logD: | 7.1568 |
| logSw: | -6.374 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.928 |
| InChI Key: | JFAQPMCWDWKUNU-UHFFFAOYSA-N |