9-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[4,5]pyrano[3,2-g][1,3]benzoxazin-4(1H)-one
Chemical Structure Depiction of
9-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[4,5]pyrano[3,2-g][1,3]benzoxazin-4(1H)-one
9-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[4,5]pyrano[3,2-g][1,3]benzoxazin-4(1H)-one
Compound characteristics
| Compound ID: | D144-0596 |
| Compound Name: | 9-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[4,5]pyrano[3,2-g][1,3]benzoxazin-4(1H)-one |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C24 H25 N O5 |
| Smiles: | Cc1c2c(CN(Cc3ccc(c(c3)OC)OC)CO2)cc2C3CCCC=3C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.8396 |
| logD: | 1.8682 |
| logSw: | -4.0358 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.66 |
| InChI Key: | TVFNMOMTIPAMTA-UHFFFAOYSA-N |