5-(benzenesulfonyl)-9-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(benzenesulfonyl)-9-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-1,5-diazacycloundecan-2-one
5-(benzenesulfonyl)-9-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-1646 |
| Compound Name: | 5-(benzenesulfonyl)-9-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 530.66 |
| Molecular Formula: | C27 H35 F N4 O4 S |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)C(N1CCN(CC1)Cc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.683 |
| logD: | 1.6616 |
| logSw: | -2.5405 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.493 |
| InChI Key: | OZPSEYXLAIAABS-QFIPXVFZSA-N |