N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0502 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 412.58 |
| Molecular Formula: | C24 H36 N4 O2 |
| Smiles: | C1CCC(CCNC(C2CCCN(CCC(NCC2)=O)Cc2cccnc2)=O)=CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8765 |
| logD: | 0.719 |
| logSw: | -1.1732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.29 |
| InChI Key: | KPHOVJKFIRNWTM-QFIPXVFZSA-N |