N-methyl-4-oxo-1-[(pyridin-3-yl)methyl]-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-methyl-4-oxo-1-[(pyridin-3-yl)methyl]-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
N-methyl-4-oxo-1-[(pyridin-3-yl)methyl]-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0587 |
| Compound Name: | N-methyl-4-oxo-1-[(pyridin-3-yl)methyl]-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 468.64 |
| Molecular Formula: | C26 H40 N6 O2 |
| Smiles: | Cc1c(CCCN(C)C(C2CCCN(CCC(NCC2)=O)Cc2cccnc2)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4597 |
| logD: | -0.6173 |
| logSw: | -0.8069 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.812 |
| InChI Key: | DDJGHODFMCNLPD-QHCPKHFHSA-N |