N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide--hydrogen chloride (1/2)
Chemical Structure Depiction of
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide--hydrogen chloride (1/2)
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | SB18-0310 |
| Compound Name: | N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide--hydrogen chloride (1/2) |
| Molecular Weight: | 344.24 |
| Molecular Formula: | C14 H17 N5 O |
| Salt: | 2HCl |
| Smiles: | [H]N1C[C@H](C[C@H]1c1nc(C)n[nH]1)NC(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.1367 |
| logD: | -0.0878 |
| logSw: | -1.6609 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.184 |
| InChI Key: | KJPNDRRHUULPKE-RYUDHWBXSA-N |