5-(1-methyl-1H-imidazole-4-sulfonyl)-9-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(1-methyl-1H-imidazole-4-sulfonyl)-9-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
5-(1-methyl-1H-imidazole-4-sulfonyl)-9-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-1806 |
| Compound Name: | 5-(1-methyl-1H-imidazole-4-sulfonyl)-9-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C21 H34 N6 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCC(CCNC(CC1)=O)C(N1CCN(CC1)CC=C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.2075 |
| logD: | -1.3365 |
| logSw: | -1.7517 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.154 |
| InChI Key: | YBZPPEASWSORHW-SFHVURJKSA-N |