3-(4-bromo-3-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
3-(4-bromo-3-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-(4-bromo-3-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | Y040-7528 |
| Compound Name: | 3-(4-bromo-3-methylphenyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 426.31 |
| Molecular Formula: | C22 H20 Br N O3 |
| Smiles: | Cc1cc(ccc1[Br])N1Cc2c(ccc3C4CCCCC=4C(=O)Oc23)OC1 |
| Stereo: | ACHIRAL |
| logP: | 6.0933 |
| logD: | 6.0933 |
| logSw: | -5.4519 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.069 |
| InChI Key: | RMIZAIGBAILBNX-UHFFFAOYSA-N |