6-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
Chemical Structure Depiction of
6-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
6-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
Compound characteristics
| Compound ID: | D144-0759 |
| Compound Name: | 6-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C26 H31 N O5 |
| Smiles: | CCCCC1=CC(=O)Oc2c1cc1CN(CCc3ccc(c(c3)OC)OC)COc1c2C |
| Stereo: | ACHIRAL |
| logP: | 5.0267 |
| logD: | 4.1457 |
| logSw: | -4.6638 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.838 |
| InChI Key: | PHBKIBVDVNUUEB-UHFFFAOYSA-N |