4-butyl-6-chloro-9-[(3,4,5-trimethoxyphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-9-[(3,4,5-trimethoxyphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
4-butyl-6-chloro-9-[(3,4,5-trimethoxyphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | D144-0032 |
| Compound Name: | 4-butyl-6-chloro-9-[(3,4,5-trimethoxyphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 473.95 |
| Molecular Formula: | C25 H28 Cl N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2c1cc(c1c2CN(Cc2cc(c(c(c2)OC)OC)OC)CO1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4394 |
| logD: | 3.4816 |
| logSw: | -6.0188 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.577 |
| InChI Key: | XAEDAFYQZZZZPP-UHFFFAOYSA-N |