5-[1-(isoquinoline-1-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-[1-(isoquinoline-1-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
5-[1-(isoquinoline-1-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
Compound characteristics
Compound ID: | S790-0048 |
Compound Name: | 5-[1-(isoquinoline-1-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one |
Molecular Weight: | 436.55 |
Molecular Formula: | C25 H32 N4 O3 |
Smiles: | C1CCCN(CCC(NCC1)=O)C(C1CCN(CC1)C(c1c2ccccc2ccn1)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.596 |
logD: | 1.596 |
logSw: | -2.2877 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.436 |
InChI Key: | LZVIEHLUGNHZDQ-UHFFFAOYSA-N |