N-[(4-fluorophenyl)methyl]-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
N-[(4-fluorophenyl)methyl]-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1755 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C21 H28 F N5 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCC(CCNC(CC1)=O)C(NCc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.511 |
| logD: | -0.511 |
| logSw: | -2.1195 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.129 |
| InChI Key: | ZETBTMGYLDLUNT-KRWDZBQOSA-N |