4-butyl-6-chloro-9-(2-phenylethyl)-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-9-(2-phenylethyl)-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
4-butyl-6-chloro-9-(2-phenylethyl)-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | D144-0311 |
| Compound Name: | 4-butyl-6-chloro-9-(2-phenylethyl)-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 397.9 |
| Molecular Formula: | C23 H24 Cl N O3 |
| Smiles: | CCCCC1=CC(=O)Oc2c1cc(c1c2CN(CCc2ccccc2)CO1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9584 |
| logD: | 5.807 |
| logSw: | -5.9732 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.577 |
| InChI Key: | RWLVYZITAZCHLO-UHFFFAOYSA-N |