N-benzyl-1-{[(2S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0255 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C21 H24 N6 O2 S |
| Smiles: | Cc1c(C(N2CCC[C@H]2Cn2cc(C(NCc3ccccc3)=O)nn2)=O)sc(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.1257 |
| logD: | 2.1257 |
| logSw: | -2.445 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.214 |
| InChI Key: | QSKLQHUFXLXBQZ-KRWDZBQOSA-N |