N-[rel-(3R,4S)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1281 |
| Compound Name: | N-[rel-(3R,4S)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C21 H27 N7 O |
| Smiles: | CCn1cc(CN2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(c2ccccc2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8921 |
| logD: | -4.3689 |
| logSw: | -2.2243 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.793 |
| InChI Key: | LKRXXCPXTNWCSL-OALUTQOASA-N |