6-chloro-9-(2-phenylethyl)-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
6-chloro-9-(2-phenylethyl)-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
6-chloro-9-(2-phenylethyl)-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | D144-0310 |
| Compound Name: | 6-chloro-9-(2-phenylethyl)-4-propyl-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: | CCCC1=CC(=O)Oc2c1cc(c1c2CN(CCc2ccccc2)CO1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4783 |
| logD: | 5.3269 |
| logSw: | -5.9769 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.577 |
| InChI Key: | DWGORMXXHWHMFW-UHFFFAOYSA-N |