1-[(3-methoxyphenyl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-[(3-methoxyphenyl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]-1H-benzotriazole-5-carboxamide
1-[(3-methoxyphenyl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L455-0408 |
| Compound Name: | 1-[(3-methoxyphenyl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C22 H27 N5 O2 |
| Smiles: | COc1cccc(Cn2c3ccc(cc3nn2)C(NCCCN2CCCC2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.0564 |
| logD: | -0.9761 |
| logSw: | -2.7391 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.812 |
| InChI Key: | PIEBIXUGRGFSGX-UHFFFAOYSA-N |