3-methyl-N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}butanamide
Chemical Structure Depiction of
3-methyl-N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}butanamide
3-methyl-N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}butanamide
Compound characteristics
| Compound ID: | SB18-0142 |
| Compound Name: | 3-methyl-N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}butanamide |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C18 H25 N5 O2 S |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(Cc1ccsc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0252 |
| logD: | 2.0245 |
| logSw: | -2.5658 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.773 |
| InChI Key: | SDFZRFBEQVXWIC-CABCVRRESA-N |