3-[2-(4-chlorophenyl)ethyl]-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-(4-chlorophenyl)ethyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-[2-(4-chlorophenyl)ethyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | Y040-7547 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C22 H20 Cl N O3 |
| Smiles: | C1CC2=C(C1)c1ccc3c(CN(CCc4ccc(cc4)[Cl])CO3)c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 4.5776 |
| logD: | 4.2816 |
| logSw: | -4.8714 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.694 |
| InChI Key: | PQLXTGFYUFJZMJ-UHFFFAOYSA-N |