N-[(4-methylphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
N-[(4-methylphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0044 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | Cc1ccc(CNC(CCCn2c3ccc(cc3nn2)S(N2CCCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0152 |
| logD: | 2.0152 |
| logSw: | -2.8089 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.191 |
| InChI Key: | RIJBLCCUUGGAKV-UHFFFAOYSA-N |