9-(azepane-1-carbonyl)-5-(1-methyl-1H-imidazole-4-sulfonyl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-(azepane-1-carbonyl)-5-(1-methyl-1H-imidazole-4-sulfonyl)-1,5-diazacycloundecan-2-one
9-(azepane-1-carbonyl)-5-(1-methyl-1H-imidazole-4-sulfonyl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-1733 |
| Compound Name: | 9-(azepane-1-carbonyl)-5-(1-methyl-1H-imidazole-4-sulfonyl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C20 H33 N5 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCC(CCNC(CC1)=O)C(N1CCCCCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.131 |
| logD: | -0.131 |
| logSw: | -1.8768 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.695 |
| InChI Key: | JCCSFFVCYQUQDN-KRWDZBQOSA-N |