N-[rel-(3R,4S)-1-[(5-methylthiophen-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(5-methylthiophen-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-[(5-methylthiophen-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1211 |
| Compound Name: | N-[rel-(3R,4S)-1-[(5-methylthiophen-2-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C20 H23 N5 O S |
| Smiles: | Cc1nc([C@@H]2CN(Cc3ccc(C)s3)C[C@H]2NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4643 |
| logD: | 0.7859 |
| logSw: | -2.8843 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.957 |
| InChI Key: | QTKNCKPYWUVVHS-QZTJIDSGSA-N |