4-butyl-9-[(2-chlorophenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
4-butyl-9-[(2-chlorophenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
4-butyl-9-[(2-chlorophenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | Y040-7578 |
| Compound Name: | 4-butyl-9-[(2-chlorophenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 383.87 |
| Molecular Formula: | C22 H22 Cl N O3 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc1c2CN(Cc2ccccc2[Cl])CO1 |
| Stereo: | ACHIRAL |
| logP: | 5.5031 |
| logD: | 5.4474 |
| logSw: | -5.8254 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.914 |
| InChI Key: | PHMNOZRJJJGBPP-UHFFFAOYSA-N |