8-(cyclopropanecarbonyl)-5-oxo-7-phenyl-N-(2-phenylethyl)-1,4,8-triazacycloundecane-1-carboxamide
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-5-oxo-7-phenyl-N-(2-phenylethyl)-1,4,8-triazacycloundecane-1-carboxamide
8-(cyclopropanecarbonyl)-5-oxo-7-phenyl-N-(2-phenylethyl)-1,4,8-triazacycloundecane-1-carboxamide
Compound characteristics
| Compound ID: | S791-0519 |
| Compound Name: | 8-(cyclopropanecarbonyl)-5-oxo-7-phenyl-N-(2-phenylethyl)-1,4,8-triazacycloundecane-1-carboxamide |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C27 H34 N4 O3 |
| Smiles: | C1CN(CCNC(CC(c2ccccc2)N(C1)C(C1CC1)=O)=O)C(NCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4546 |
| logD: | 2.4546 |
| logSw: | -2.8578 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.628 |
| InChI Key: | RGBPGWOOGDODBX-DEOSSOPVSA-N |