4-butyl-6-chloro-9-[(4-fluorophenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-9-[(4-fluorophenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
4-butyl-6-chloro-9-[(4-fluorophenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | D144-0041 |
| Compound Name: | 4-butyl-6-chloro-9-[(4-fluorophenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 401.86 |
| Molecular Formula: | C22 H21 Cl F N O3 |
| Smiles: | CCCCC1=CC(=O)Oc2c1cc(c1c2CN(Cc2ccc(cc2)F)CO1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8071 |
| logD: | 5.7722 |
| logSw: | -5.9718 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.599 |
| InChI Key: | TYLQDEHRHSVNHK-UHFFFAOYSA-N |