3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | E754-0643 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C25 H27 N O5 |
| Smiles: | COc1ccc(CCN2Cc3c(ccc4C5CCCCC=5C(=O)Oc34)OC2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2972 |
| logD: | 4.1109 |
| logSw: | -4.278 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.589 |
| InChI Key: | PVZHGDBUPGOMGF-UHFFFAOYSA-N |