3-[(4-fluorophenyl)methyl]-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)methyl]-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-[(4-fluorophenyl)methyl]-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: | Y040-7503 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 379.43 |
| Molecular Formula: | C23 H22 F N O3 |
| Smiles: | C1CCC2=C(CC1)c1ccc3c(CN(Cc4ccc(cc4)F)CO3)c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 5.1248 |
| logD: | 5.047 |
| logSw: | -5.1723 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.68 |
| InChI Key: | LUCYOXFYXGQPIV-UHFFFAOYSA-N |