N-[(3S,5S)-1-[(3-methylthiophen-2-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(3-methylthiophen-2-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-[(3-methylthiophen-2-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-0358 |
| Compound Name: | N-[(3S,5S)-1-[(3-methylthiophen-2-yl)methyl]-5-(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: | Cc1ccsc1CN1C[C@H](C[C@H]1c1nc(C)n[nH]1)NC(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6649 |
| logD: | 2.6626 |
| logSw: | -2.9208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.493 |
| InChI Key: | DGZLCTWMBAMCPF-SJORKVTESA-N |