N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1884 |
| Compound Name: | N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 562.71 |
| Molecular Formula: | C27 H39 F N6 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCC(CCNC(CC1)=O)C(NCC1CCN(CC1)Cc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.437 |
| logD: | -1.3524 |
| logSw: | -2.3407 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.861 |
| InChI Key: | DDKRXTMWJUOJCJ-QHCPKHFHSA-N |