2-{[2-(4-methoxyphenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[2-(4-methoxyphenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
2-{[2-(4-methoxyphenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C683-0842 |
| Compound Name: | 2-{[2-(4-methoxyphenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | Cc1cccc2Cc3c(nc(c4ccc(cc4)OC)nc3SCC(N)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.9448 |
| logD: | 4.9417 |
| logSw: | -4.86 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.018 |
| InChI Key: | QTXYPGKSZUJAII-UHFFFAOYSA-N |