1-{4-[1-(1H-imidazole-4-sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[1-(1H-imidazole-4-sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[1-(1H-imidazole-4-sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
Compound ID: | T002-0174 |
Compound Name: | 1-{4-[1-(1H-imidazole-4-sulfonyl)piperidine-4-carbonyl]piperazin-1-yl}but-2-yn-1-one |
Molecular Weight: | 393.46 |
Molecular Formula: | C17 H23 N5 O4 S |
Smiles: | CC#CC(N1CCN(CC1)C(C1CCN(CC1)S(c1c[nH]cn1)(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | -0.0712 |
logD: | -0.0712 |
logSw: | -2.0187 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 85.871 |
InChI Key: | KLMZJAJBWWTMCW-UHFFFAOYSA-N |