N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}benzamide
N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | SB18-0390 |
| Compound Name: | N-{(3S,5S)-5-(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]2C[C@@H](CN2C(Cc2ccsc2)=O)NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.997 |
| logD: | 1.9964 |
| logSw: | -2.389 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.715 |
| InChI Key: | SBDJMBFSTMKINM-SJORKVTESA-N |