1-(1-methyl-1H-imidazole-4-sulfonyl)-N-[(2-methylphenyl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(1-methyl-1H-imidazole-4-sulfonyl)-N-[(2-methylphenyl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
1-(1-methyl-1H-imidazole-4-sulfonyl)-N-[(2-methylphenyl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1759 |
| Compound Name: | 1-(1-methyl-1H-imidazole-4-sulfonyl)-N-[(2-methylphenyl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C22 H31 N5 O4 S |
| Smiles: | Cc1ccccc1CNC(C1CCCN(CCC(NCC1)=O)S(c1cn(C)cn1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3479 |
| logD: | 0.3479 |
| logSw: | -2.2175 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.129 |
| InChI Key: | NRJDTMUEFJNHSC-SFHVURJKSA-N |