2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | S333-0483 |
| Compound Name: | 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 444.45 |
| Molecular Formula: | C24 H20 N4 O5 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(Cn1cccc1c1nc(c2ccc3c(c2)OCO3)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4803 |
| logD: | 4.4803 |
| logSw: | -4.3516 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.357 |
| InChI Key: | MBWCCRDFQIGNNS-UHFFFAOYSA-N |