2-[(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one
2-[(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C683-0127 |
| Compound Name: | 2-[(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | COc1cccc2Cc3c(nc(c4ccccc4)nc3SCC(N3CCCCC3)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 5.6528 |
| logD: | 5.6498 |
| logSw: | -5.4657 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.838 |
| InChI Key: | KNHJCIXTQXYQIK-UHFFFAOYSA-N |