1-[(2-oxopyrrolidin-1-yl)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(2-oxopyrrolidin-1-yl)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[(2-oxopyrrolidin-1-yl)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0734 |
| Compound Name: | 1-[(2-oxopyrrolidin-1-yl)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 463.58 |
| Molecular Formula: | C26 H33 N5 O3 |
| Smiles: | C1CC(N(C1)CC(N1CCCN(Cc2ccncc2)C(CC(NCC1)=O)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4359 |
| logD: | -0.4603 |
| logSw: | -1.1181 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.804 |
| InChI Key: | CGWGSTCEMMAREM-QHCPKHFHSA-N |