3-(2-phenylethyl)-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-phenylethyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-(2-phenylethyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | E754-0642 |
| Compound Name: | 3-(2-phenylethyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C23 H23 N O3 |
| Smiles: | C1CCC2=C(C1)C(=O)Oc1c2ccc2c1CN(CCc1ccccc1)CO2 |
| Stereo: | ACHIRAL |
| logP: | 4.7802 |
| logD: | 4.4842 |
| logSw: | -4.7967 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.328 |
| InChI Key: | BTQYBBBTFZFBHV-UHFFFAOYSA-N |