N-[(3S,5S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-0328 |
| Compound Name: | N-[(3S,5S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C21 H27 N7 O |
| Smiles: | CCn1c(C)c(CN2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(c2ccccc2)=O)cn1 |
| Stereo: | ABSOLUTE |
| logP: | 1.3181 |
| logD: | -1.0795 |
| logSw: | -1.9751 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.399 |
| InChI Key: | UDGMWDPRBMWZOZ-RBUKOAKNSA-N |