3-[(2-chlorophenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-[(2-chlorophenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | E754-0622 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 367.83 |
| Molecular Formula: | C21 H18 Cl N O3 |
| Smiles: | C1CC2=C(C1)c1ccc3c(CN(Cc4ccccc4[Cl])CO3)c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 4.4404 |
| logD: | 4.3847 |
| logSw: | -4.6771 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.715 |
| InChI Key: | TYMIPEAAEQLWBX-UHFFFAOYSA-N |