8-(cyclopropanecarbonyl)-7-phenyl-1-[(pyridin-3-yl)acetyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-7-phenyl-1-[(pyridin-3-yl)acetyl]-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-7-phenyl-1-[(pyridin-3-yl)acetyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0346 |
| Compound Name: | 8-(cyclopropanecarbonyl)-7-phenyl-1-[(pyridin-3-yl)acetyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C25 H30 N4 O3 |
| Smiles: | C1CN(CCNC(CC(c2ccccc2)N(C1)C(C1CC1)=O)=O)C(Cc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0421 |
| logD: | 1.0336 |
| logSw: | -1.0761 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.633 |
| InChI Key: | XMHBZKZICNTNBO-QFIPXVFZSA-N |