2-(3,5-dimethoxyphenyl)-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
2-(3,5-dimethoxyphenyl)-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
2-(3,5-dimethoxyphenyl)-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0975 |
| Compound Name: | 2-(3,5-dimethoxyphenyl)-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C23 H27 N5 O3 |
| Smiles: | CN1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(Cc1cc(cc(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4473 |
| logD: | 0.2955 |
| logSw: | -2.9077 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.864 |
| InChI Key: | IPMFPKPCVMAXDV-PMACEKPBSA-N |