3-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
3-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | Y040-4203 |
| Compound Name: | 3-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C25 H23 N O6 |
| Smiles: | COc1cc(CN2Cc3c(ccc4c5ccccc5C(=O)Oc34)OC2)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7643 |
| logD: | 2.3296 |
| logSw: | -5.1208 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.135 |
| InChI Key: | XBELTTZHQSMISM-UHFFFAOYSA-N |