N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C683-0823 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C28 H23 N3 O4 S |
| Smiles: | Cc1cccc2Cc3c(nc(c4ccccc4)nc3SCC(Nc3ccc4c(c3)OCCO4)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 5.991 |
| logD: | 5.9879 |
| logSw: | -5.5374 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.787 |
| InChI Key: | NCEWZQJFWGQKJZ-UHFFFAOYSA-N |