1-{[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1269 |
| Compound Name: | 1-{[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C20 H27 N5 O3 |
| Smiles: | Cc1cc(C)cc(c1)C(N1CCC[C@H]1Cn1cc(C(NCCOC)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5841 |
| logD: | 1.5841 |
| logSw: | -1.8996 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.281 |
| InChI Key: | MHLWIBBPWFWBII-KRWDZBQOSA-N |