N-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-1076 |
| Compound Name: | N-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | CS(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(CCC1CCCCC1)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.6874 |
| logD: | 3.6812 |
| logSw: | -3.9357 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.781 |
| InChI Key: | LOMSSKMFLLBXCT-RBUKOAKNSA-N |