N-[(4-fluorophenyl)methyl]-1-(1-propyl-1H-benzotriazole-5-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-1-(1-propyl-1H-benzotriazole-5-sulfonyl)piperidine-4-carboxamide
N-[(4-fluorophenyl)methyl]-1-(1-propyl-1H-benzotriazole-5-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F855-0192 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-1-(1-propyl-1H-benzotriazole-5-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C22 H26 F N5 O3 S |
| Smiles: | CCCn1c2ccc(cc2nn1)S(N1CCC(CC1)C(NCc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3909 |
| logD: | 2.3909 |
| logSw: | -2.8148 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.039 |
| InChI Key: | YPMQVACZMKKGTN-UHFFFAOYSA-N |