3,4-dimethyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
3,4-dimethyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
3,4-dimethyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | Y040-1659 |
| Compound Name: | 3,4-dimethyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C21 H21 N O3 |
| Smiles: | CC1=C(C)c2ccc3c(CN(Cc4ccc(C)cc4)CO3)c2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.4046 |
| logD: | 3.9731 |
| logSw: | -4.397 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.429 |
| InChI Key: | SANFEODTKSGYGW-UHFFFAOYSA-N |