3-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | E754-0621 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-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(Cc4ccc5c(c4)OCO5)CO3)c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.6737 |
| logD: | 2.7436 |
| logSw: | -4.0663 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.831 |
| InChI Key: | XQSBZOHBUPUHSA-UHFFFAOYSA-N |