1-(3-cyclopentylpropanoyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(3-cyclopentylpropanoyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-(3-cyclopentylpropanoyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0949 |
| Compound Name: | 1-(3-cyclopentylpropanoyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 515.67 |
| Molecular Formula: | C26 H37 N5 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCN(CCNC(CC1c1ccccc1)=O)C(CCC1CCCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6134 |
| logD: | 1.6134 |
| logSw: | -2.3951 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.401 |
| InChI Key: | FQOSHPRTBYZCOA-QHCPKHFHSA-N |