3-benzyl-9-(4-bromophenyl)-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
3-benzyl-9-(4-bromophenyl)-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
3-benzyl-9-(4-bromophenyl)-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | E754-0316 |
| Compound Name: | 3-benzyl-9-(4-bromophenyl)-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 462.34 |
| Molecular Formula: | C25 H20 Br N O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc1c2CN(CO1)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.6038 |
| logD: | 6.6038 |
| logSw: | -5.8722 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.877 |
| InChI Key: | OIVWBYPQGYHUJB-UHFFFAOYSA-N |