N-(2-methoxyethyl)-1-{[(2S)-1-(3-phenyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-1-{[(2S)-1-(3-phenyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-(2-methoxyethyl)-1-{[(2S)-1-(3-phenyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0144 |
| Compound Name: | N-(2-methoxyethyl)-1-{[(2S)-1-(3-phenyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H25 N7 O3 |
| Smiles: | COCCNC(c1cn(C[C@@H]2CCCN2C(c2c[nH]nc2c2ccccc2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8537 |
| logD: | 0.8537 |
| logSw: | -2.1401 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.471 |
| InChI Key: | XTSSWZBJUSNKEG-INIZCTEOSA-N |