3-[(2-chlorophenyl)methyl]-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-[(2-chlorophenyl)methyl]-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | Y040-7576 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-3,4,8,9,10,11-hexahydro-2H-cyclohepta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 395.88 |
| Molecular Formula: | C23 H22 Cl N O3 |
| Smiles: | C1CCC2=C(CC1)c1ccc3c(CN(Cc4ccccc4[Cl])CO3)c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 5.7337 |
| logD: | 5.6779 |
| logSw: | -5.9426 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.68 |
| InChI Key: | JIKLZUURDJDVBE-UHFFFAOYSA-N |