9-(4-bromophenyl)-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
9-(4-bromophenyl)-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-(4-bromophenyl)-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | E754-0168 |
| Compound Name: | 9-(4-bromophenyl)-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 400.27 |
| Molecular Formula: | C20 H18 Br N O3 |
| Smiles: | CCCC1=CC(=O)Oc2c1ccc1c2CN(CO1)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.5703 |
| logD: | 5.5703 |
| logSw: | -5.5029 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.634 |
| InChI Key: | ITFLQEDNRZYVAP-UHFFFAOYSA-N |