9-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-(1-methyl-1H-imidazole-4-sulfonyl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-(1-methyl-1H-imidazole-4-sulfonyl)-1,5-diazacycloundecan-2-one
9-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-(1-methyl-1H-imidazole-4-sulfonyl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-1760 |
| Compound Name: | 9-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-(1-methyl-1H-imidazole-4-sulfonyl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 530.69 |
| Molecular Formula: | C26 H38 N6 O4 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(C1CCCN(CCC(NCC1)=O)S(c1cn(C)cn1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1319 |
| logD: | 1.1319 |
| logSw: | -2.3106 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.323 |
| InChI Key: | IQRLKIFYMWRDDJ-QFIPXVFZSA-N |