3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | E754-0523 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C22 H19 N O5 |
| Smiles: | C1CC2=C(C1)c1ccc3c(CN(CO3)c3ccc4c(c3)OCCO4)c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.0717 |
| logD: | 3.0717 |
| logSw: | -3.4647 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.258 |
| InChI Key: | HTYGZJSZBNBUCG-UHFFFAOYSA-N |