9-benzyl-4-butyl-6-chloro-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
9-benzyl-4-butyl-6-chloro-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-benzyl-4-butyl-6-chloro-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | D144-0083 |
| Compound Name: | 9-benzyl-4-butyl-6-chloro-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)Oc2c1cc(c1c2CN(Cc2ccccc2)CO1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.778 |
| logD: | 5.6956 |
| logSw: | -5.8989 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.599 |
| InChI Key: | NPZXTADNWRAOAR-UHFFFAOYSA-N |