N-[(4-fluorophenyl)methyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-6-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-6-carboxamide
N-[(4-fluorophenyl)methyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-6-carboxamide
Compound characteristics
| Compound ID: | S735-0079 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-6-carboxamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C23 H29 F N4 O2 |
| Smiles: | C1CCC(C(NCc2ccc(cc2)F)=O)NC(CCN(CC1)Cc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8503 |
| logD: | 1.6896 |
| logSw: | -2.033 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.598 |
| InChI Key: | JRLGFOAFWLJLON-NRFANRHFSA-N |