N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}benzamide
N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | SB33-0211 |
| Compound Name: | N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}benzamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C20 H21 N5 O2 S |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(c2ccccc2)=O)C(Cc2ccsc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5971 |
| logD: | 1.5967 |
| logSw: | -2.473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.345 |
| InChI Key: | JSFSYVRTSQMYMV-IAGOWNOFSA-N |