8-(cyclopropanecarbonyl)-1-[3-(4-methoxyphenyl)propanoyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-[3-(4-methoxyphenyl)propanoyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-[3-(4-methoxyphenyl)propanoyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0333 |
| Compound Name: | 8-(cyclopropanecarbonyl)-1-[3-(4-methoxyphenyl)propanoyl]-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C28 H35 N3 O4 |
| Smiles: | COc1ccc(CCC(N2CCCN(C(CC(NCC2)=O)c2ccccc2)C(C2CC2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6207 |
| logD: | 2.6207 |
| logSw: | -2.9608 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.659 |
| InChI Key: | UFMRAPNLRINVKI-VWLOTQADSA-N |