8-(cyclopropanecarbonyl)-N-(3-methoxypropyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-N-(3-methoxypropyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide
8-(cyclopropanecarbonyl)-N-(3-methoxypropyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide
Compound characteristics
| Compound ID: | S791-0516 |
| Compound Name: | 8-(cyclopropanecarbonyl)-N-(3-methoxypropyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C23 H34 N4 O4 |
| Smiles: | COCCCNC(N1CCCN(C(CC(NCC1)=O)c1ccccc1)C(C1CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2134 |
| logD: | 1.2134 |
| logSw: | -1.8555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.242 |
| InChI Key: | AVYLRZSIXRTXQD-FQEVSTJZSA-N |