(2S)-4-methyl-2-(1H-pyrrol-1-yl)-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]pentanamide
Chemical Structure Depiction of
(2S)-4-methyl-2-(1H-pyrrol-1-yl)-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]pentanamide
(2S)-4-methyl-2-(1H-pyrrol-1-yl)-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]pentanamide
Compound characteristics
| Compound ID: | Y044-4845 |
| Compound Name: | (2S)-4-methyl-2-(1H-pyrrol-1-yl)-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]pentanamide |
| Molecular Weight: | 323.4 |
| Molecular Formula: | C18 H21 N5 O |
| Smiles: | CC(C)C[C@@H](C(Nc1cccc(c1)c1nc[nH]n1)=O)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.3263 |
| logD: | 3.323 |
| logSw: | -3.6011 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.556 |
| InChI Key: | REILQYQIECGLHO-INIZCTEOSA-N |