5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-0202 |
| Compound Name: | 5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 481.64 |
| Molecular Formula: | C26 H39 N7 O2 |
| Smiles: | CCn1c(C)c(CN2CCCC(CCNC(CC2)=O)C(N2CCN(CC2)c2ccccn2)=O)cn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8016 |
| logD: | -3.9101 |
| logSw: | -1.7402 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.671 |
| InChI Key: | UTRUPKYZUBEMFY-QFIPXVFZSA-N |