8-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(3-methylthiophen-2-yl)methyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(3-methylthiophen-2-yl)methyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(3-methylthiophen-2-yl)methyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-1047 |
| Compound Name: | 8-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(3-methylthiophen-2-yl)methyl]-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 501.67 |
| Molecular Formula: | C24 H31 N5 O3 S2 |
| Smiles: | Cc1ccsc1CN1CCCN(C(CC(NCC1)=O)c1ccccc1)S(c1cn(C)cn1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0454 |
| logD: | 1.9848 |
| logSw: | -2.5837 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.473 |
| InChI Key: | JBJRIFWZCXXEDV-NRFANRHFSA-N |