5-(1-methyl-1H-imidazole-4-sulfonyl)-9-[4-(pentan-3-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(1-methyl-1H-imidazole-4-sulfonyl)-9-[4-(pentan-3-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
5-(1-methyl-1H-imidazole-4-sulfonyl)-9-[4-(pentan-3-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-3261 |
| Compound Name: | 5-(1-methyl-1H-imidazole-4-sulfonyl)-9-[4-(pentan-3-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 496.67 |
| Molecular Formula: | C23 H40 N6 O4 S |
| Smiles: | CCC(CC)N1CCN(CC1)C(C1CCCN(CCC(NCC1)=O)S(c1cn(C)cn1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.1459 |
| logD: | -0.8778 |
| logSw: | -1.9285 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.396 |
| InChI Key: | LGXAQIGVPBMKCD-IBGZPJMESA-N |