5-(benzenesulfonyl)-9-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(benzenesulfonyl)-9-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-1,5-diazacycloundecan-2-one
5-(benzenesulfonyl)-9-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-1651 |
| Compound Name: | 5-(benzenesulfonyl)-9-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 526.7 |
| Molecular Formula: | C28 H38 N4 O4 S |
| Smiles: | Cc1ccc(CN2CCN(CC2)C(C2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.812 |
| logD: | 1.6539 |
| logSw: | -2.5434 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.493 |
| InChI Key: | FEZIZWIQKMOBGQ-VWLOTQADSA-N |