N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[1-(butan-2-yl)-1H-benzotriazole-5-sulfonyl]-N~2~-methylglycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[1-(butan-2-yl)-1H-benzotriazole-5-sulfonyl]-N~2~-methylglycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[1-(butan-2-yl)-1H-benzotriazole-5-sulfonyl]-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | F859-0044 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[1-(butan-2-yl)-1H-benzotriazole-5-sulfonyl]-N~2~-methylglycinamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C21 H25 N5 O5 S |
| Smiles: | CCC(C)n1c2ccc(cc2nn1)S(N(C)CC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4894 |
| logD: | 2.4894 |
| logSw: | -3.0884 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.14 |
| InChI Key: | IFMMEXSGBPOQJR-AWEZNQCLSA-N |