N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | L310-2433 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 486.5 |
| Molecular Formula: | C22 H22 N4 O7 S |
| Smiles: | CCc1nc(CN2C(COc3cc(c(C)cc23)S(NCc2ccc3c(c2)OCO3)(=O)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.7538 |
| logD: | 2.7535 |
| logSw: | -3.2723 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.547 |
| InChI Key: | ZDJFZUGCQGFAPE-UHFFFAOYSA-N |