9-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-5-(methanesulfonyl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-5-(methanesulfonyl)-1,5-diazacycloundecan-2-one
9-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-5-(methanesulfonyl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-1449 |
| Compound Name: | 9-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-5-(methanesulfonyl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 468.59 |
| Molecular Formula: | C22 H33 F N4 O4 S |
| Smiles: | CS(N1CCCC(CCNC(CC1)=O)C(N1CCN(CC1)Cc1ccccc1F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1831 |
| logD: | 0.1617 |
| logSw: | -2.2548 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.257 |
| InChI Key: | NJFHJLUMZXVRAY-SFHVURJKSA-N |