3-(4-bromophenyl)-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-bromophenyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-(4-bromophenyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | E754-0506 |
| Compound Name: | 3-(4-bromophenyl)-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 412.28 |
| Molecular Formula: | C21 H18 Br N O3 |
| Smiles: | C1CCC2=C(C1)C(=O)Oc1c2ccc2c1CN(CO2)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.785 |
| logD: | 5.785 |
| logSw: | -5.8032 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.069 |
| InChI Key: | QVCZNPVBIFWTGL-UHFFFAOYSA-N |