3-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | D144-0287 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C23 H17 N O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1Cc2c(ccc3c4ccccc4C(=O)Oc23)OC1 |
| Stereo: | ACHIRAL |
| logP: | 3.9741 |
| logD: | 3.6871 |
| logSw: | -5.2963 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.273 |
| InChI Key: | XEJFUWGCSWWXHU-UHFFFAOYSA-N |