1-[(4-methylphenyl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-[(4-methylphenyl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]-1H-benzotriazole-5-carboxamide
1-[(4-methylphenyl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L455-0686 |
| Compound Name: | 1-[(4-methylphenyl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 377.49 |
| Molecular Formula: | C22 H27 N5 O |
| Smiles: | Cc1ccc(Cn2c3ccc(cc3nn2)C(NCCCN2CCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4244 |
| logD: | -0.6081 |
| logSw: | -2.8925 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.268 |
| InChI Key: | VLJRTMWYEJRDNA-UHFFFAOYSA-N |