propan-2-yl 9-(4-bromophenyl)-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazine-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 9-(4-bromophenyl)-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazine-3-carboxylate
propan-2-yl 9-(4-bromophenyl)-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazine-3-carboxylate
Compound characteristics
| Compound ID: | E754-0902 |
| Compound Name: | propan-2-yl 9-(4-bromophenyl)-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazine-3-carboxylate |
| Molecular Weight: | 444.28 |
| Molecular Formula: | C21 H18 Br N O5 |
| Smiles: | CC(C)OC(C1=Cc2ccc3c(CN(CO3)c3ccc(cc3)[Br])c2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2117 |
| logD: | 5.2117 |
| logSw: | -5.1646 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.581 |
| InChI Key: | XNAHVJIOXZKTMW-UHFFFAOYSA-N |