9-(3,5-dimethylphenyl)-3,4-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
9-(3,5-dimethylphenyl)-3,4-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-(3,5-dimethylphenyl)-3,4-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | Y040-1630 |
| Compound Name: | 9-(3,5-dimethylphenyl)-3,4-dimethyl-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(CO3)c3cc(C)cc(C)c3)c2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 5.1631 |
| logD: | 5.1631 |
| logSw: | -5.1252 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.149 |
| InChI Key: | FECLHZKINHTFKQ-UHFFFAOYSA-N |