5-(4-phenylbutanoyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(4-phenylbutanoyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
5-(4-phenylbutanoyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-0036 |
| Compound Name: | 5-(4-phenylbutanoyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 505.66 |
| Molecular Formula: | C29 H39 N5 O3 |
| Smiles: | C(CC(N1CCCC(CCNC(CC1)=O)C(N1CCN(CC1)c1ccccn1)=O)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3681 |
| logD: | 2.3593 |
| logSw: | -2.6525 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.134 |
| InChI Key: | HEQDJVOTADNYST-VWLOTQADSA-N |