5-(benzenesulfonyl)-9-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(benzenesulfonyl)-9-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
5-(benzenesulfonyl)-9-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Compound characteristics
Compound ID: | S733-1606 |
Compound Name: | 5-(benzenesulfonyl)-9-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one |
Molecular Weight: | 512.67 |
Molecular Formula: | C27 H36 N4 O4 S |
Smiles: | Cc1cccc(c1)N1CCN(CC1)C(C1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.1501 |
logD: | 2.15 |
logSw: | -2.8158 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.213 |
InChI Key: | ZBJTYUPWFYKAKD-QHCPKHFHSA-N |