5-(1-ethyl-1H-pyrazole-4-sulfonyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(1-ethyl-1H-pyrazole-4-sulfonyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
5-(1-ethyl-1H-pyrazole-4-sulfonyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-0266 |
| Compound Name: | 5-(1-ethyl-1H-pyrazole-4-sulfonyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C24 H35 N7 O4 S |
| Smiles: | CCn1cc(cn1)S(N1CCCC(CCNC(CC1)=O)C(N1CCN(CC1)c1ccccn1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.016 |
| logD: | 0.0071 |
| logSw: | -2.288 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.226 |
| InChI Key: | YKZCGNQLXCYKPH-FQEVSTJZSA-N |