12-chloro-3-[(4-fluorophenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
12-chloro-3-[(4-fluorophenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
12-chloro-3-[(4-fluorophenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | D144-0033 |
| Compound Name: | 12-chloro-3-[(4-fluorophenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 399.85 |
| Molecular Formula: | C22 H19 Cl F N O3 |
| Smiles: | C1CCC2=C(C1)C(=O)Oc1c2cc(c2c1CN(Cc1ccc(cc1)F)CO2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5417 |
| logD: | 5.5068 |
| logSw: | -6.1083 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.034 |
| InChI Key: | VFFTVSUTIWLKRV-UHFFFAOYSA-N |