N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0399 |
| Compound Name: | N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 448.57 |
| Molecular Formula: | C25 H32 N6 O2 |
| Smiles: | Cn1c2ccccc2nc1CNC(C1CCCN(CCC(NCC1)=O)Cc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1489 |
| logD: | 0.0806 |
| logSw: | -1.3085 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.154 |
| InChI Key: | LSGHCLYPFAKTHO-FQEVSTJZSA-N |