2-{[9-(4-methoxyphenyl)-12H-naphtho[1',2':5,6]pyrano[2,3-d]pyrimidin-11-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[9-(4-methoxyphenyl)-12H-naphtho[1',2':5,6]pyrano[2,3-d]pyrimidin-11-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[9-(4-methoxyphenyl)-12H-naphtho[1',2':5,6]pyrano[2,3-d]pyrimidin-11-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C683-0366 |
| Compound Name: | 2-{[9-(4-methoxyphenyl)-12H-naphtho[1',2':5,6]pyrano[2,3-d]pyrimidin-11-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | COc1ccc(cc1)c1nc2c(Cc3c(ccc4ccccc34)O2)c(n1)SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8595 |
| logD: | 6.8418 |
| logSw: | -6.7813 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.795 |
| InChI Key: | HNEFAWNPDSWFBE-UHFFFAOYSA-N |