2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | E544-0171 |
| Compound Name: | 2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | Cc1c2c(Cc3c(nc(c4ccc(cc4)OC)nc3SCC(N3CCOCC3)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 3.0143 |
| logD: | 3.0115 |
| logSw: | -3.0137 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.489 |
| InChI Key: | BUOOLQQCLXZUFG-UHFFFAOYSA-N |