N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-propyl-1H-benzotriazole-5-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-propyl-1H-benzotriazole-5-sulfonyl)piperidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-propyl-1H-benzotriazole-5-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F856-0041 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1-propyl-1H-benzotriazole-5-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C23 H27 N5 O5 S |
| Smiles: | CCCn1c2ccc(cc2nn1)S(N1CCCC(C1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1913 |
| logD: | 2.1913 |
| logSw: | -2.8106 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.088 |
| InChI Key: | NGFUQLBWTVYDHT-KRWDZBQOSA-N |