N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | L310-2826 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 498.51 |
| Molecular Formula: | C23 H22 N4 O7 S |
| Smiles: | Cc1cc2c(cc1S(NCc1ccc3c(c1)OCO3)(=O)=O)OCC(N2Cc1nc(C2CC2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1431 |
| logD: | 3.1428 |
| logSw: | -3.3784 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.133 |
| InChI Key: | MKUOIKJULZFNCW-UHFFFAOYSA-N |