N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0669 |
| Compound Name: | N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C23 H33 N5 O3 |
| Smiles: | Cc1c(CCNC(C2CCCN(CCC(NCC2)=O)Cc2ccncc2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3055 |
| logD: | -0.3737 |
| logSw: | -1.2079 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.047 |
| InChI Key: | NXIFGTOWAPUKAY-FQEVSTJZSA-N |