N-[(3S,5S)-1-[(4-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(4-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-[(4-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-0351 |
| Compound Name: | N-[(3S,5S)-1-[(4-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C22 H22 Cl N5 O2 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(Cc2ccc(cc2)[Cl])=O)NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.8403 |
| logD: | 2.8396 |
| logSw: | -3.6614 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.697 |
| InChI Key: | UUGBLHRXCCNLAL-MOPGFXCFSA-N |