3-(4-bromophenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-(4-bromophenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-(4-bromophenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | E754-0564 |
| Compound Name: | 3-(4-bromophenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 398.25 |
| Molecular Formula: | C20 H16 Br N O3 |
| Smiles: | C1CC2=C(C1)c1ccc3c(CN(CO3)c3ccc(cc3)[Br])c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 4.9877 |
| logD: | 4.9877 |
| logSw: | -4.8563 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.435 |
| InChI Key: | XJVVSASIYASQJX-UHFFFAOYSA-N |