3-[(4-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-[(4-chlorophenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-[(4-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: | E754-0617 |
| Compound Name: | 3-[(4-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(Cc4ccc(cc4)[Cl])CO3)c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 4.3972 |
| logD: | 4.3415 |
| logSw: | -4.737 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.715 |
| InChI Key: | KTXRBXGCBJFSDX-UHFFFAOYSA-N |