9-(4-bromophenyl)-3-ethyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
9-(4-bromophenyl)-3-ethyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-(4-bromophenyl)-3-ethyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | E754-0706 |
| Compound Name: | 9-(4-bromophenyl)-3-ethyl-4-methyl-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: | CCC1=C(C)c2ccc3c(CN(CO3)c3ccc(cc3)[Br])c2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 5.5692 |
| logD: | 5.5692 |
| logSw: | -5.4879 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.149 |
| InChI Key: | QJOOQMACZIAECH-UHFFFAOYSA-N |