N-[(3S,5S)-1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | SB18-0194 |
| Compound Name: | N-[(3S,5S)-1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 448.57 |
| Molecular Formula: | C25 H32 N6 O2 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(c1cc(c2ccccc2)n(C)c1C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2125 |
| logD: | 3.2118 |
| logSw: | -3.659 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.043 |
| InChI Key: | LZHRAFCSPJWTJH-KNQAVFIVSA-N |