N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | G305-1769 |
| Compound Name: | N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 488.52 |
| Molecular Formula: | C22 H24 N4 O7 S |
| Smiles: | CN(CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)S(c1ccc2c(c1)OC(N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.106 |
| logD: | 0.8808 |
| logSw: | -2.5913 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.269 |
| InChI Key: | DKWRYGQQMAGWSB-UHFFFAOYSA-N |