8-(cyclopropanecarbonyl)-1-(4-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-(4-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-(4-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0357 |
| Compound Name: | 8-(cyclopropanecarbonyl)-1-(4-methylpyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C25 H30 N4 O3 |
| Smiles: | Cc1ccncc1C(N1CCCN(C(CC(NCC1)=O)c1ccccc1)C(C1CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5151 |
| logD: | 1.5145 |
| logSw: | -1.6789 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.161 |
| InChI Key: | REHXQZQKOBMOJO-QFIPXVFZSA-N |