9-[(4-chlorophenyl)methyl]-3-ethyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
9-[(4-chlorophenyl)methyl]-3-ethyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-[(4-chlorophenyl)methyl]-3-ethyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | E754-0689 |
| Compound Name: | 9-[(4-chlorophenyl)methyl]-3-ethyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 369.85 |
| Molecular Formula: | C21 H20 Cl N O3 |
| Smiles: | CCC1=C(C)c2ccc3c(CN(Cc4ccc(cc4)[Cl])CO3)c2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.9787 |
| logD: | 4.9229 |
| logSw: | -4.9261 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.429 |
| InChI Key: | XNZFXFGGMKSCDX-UHFFFAOYSA-N |