N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(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-[(2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C683-0039 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C27 H21 N3 O4 S |
| Smiles: | C1c2ccccc2Oc2c1c(nc(c1ccccc1)n2)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5388 |
| logD: | 5.5358 |
| logSw: | -5.8887 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.103 |
| InChI Key: | VDKXHNIBFSLABI-UHFFFAOYSA-N |