3-[3-(trifluoromethyl)phenyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-[3-(trifluoromethyl)phenyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-[3-(trifluoromethyl)phenyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
Compound ID: | E754-0535 |
Compound Name: | 3-[3-(trifluoromethyl)phenyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
Molecular Weight: | 387.36 |
Molecular Formula: | C21 H16 F3 N O3 |
Smiles: | C1CC2=C(C1)c1ccc3c(CN(CO3)c3cccc(c3)C(F)(F)F)c1OC2=O |
Stereo: | ACHIRAL |
logP: | 4.833 |
logD: | 4.833 |
logSw: | -4.8888 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 33.435 |
InChI Key: | BQTBDIDKHKEUMT-UHFFFAOYSA-N |