3-[(2-chlorophenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-[(2-chlorophenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | E754-0640 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C22 H20 Cl N O3 |
| Smiles: | C1CCC2=C(C1)C(=O)Oc1c2ccc2c1CN(Cc1ccccc1[Cl])CO2 |
| Stereo: | ACHIRAL |
| logP: | 5.2377 |
| logD: | 5.182 |
| logSw: | -5.5661 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.349 |
| InChI Key: | UBXGQZGCLYRQBM-UHFFFAOYSA-N |