3-[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)ethyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | E754-0625 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C24 H25 N O5 |
| Smiles: | COc1ccc(CCN2Cc3c(ccc4C5CCCC=5C(=O)Oc34)OC2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4999 |
| logD: | 3.3136 |
| logSw: | -3.8078 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.955 |
| InChI Key: | RXHPPRQXSQQGBP-UHFFFAOYSA-N |