3-(4-fluorophenyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-(4-fluorophenyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-(4-fluorophenyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | D144-0062 |
| Compound Name: | 3-(4-fluorophenyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 365.4 |
| Molecular Formula: | C22 H20 F N O3 |
| Smiles: | C1CCC2=C(CC1)c1ccc3c(CN(CO3)c3ccc(cc3)F)c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 5.4761 |
| logD: | 5.4761 |
| logSw: | -5.5914 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.4 |
| InChI Key: | SEOHTDUKRQPXSI-UHFFFAOYSA-N |