3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | D144-0424 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C25 H23 N O5 |
| Smiles: | COc1ccc(CCN2Cc3c(ccc4c5ccccc5C(=O)Oc34)OC2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8004 |
| logD: | 3.7723 |
| logSw: | -5.0807 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.396 |
| InChI Key: | WFLIGBUARQCEKB-UHFFFAOYSA-N |