3-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]butanamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]butanamide
3-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]butanamide
Compound characteristics
Compound ID: | Y043-5512 |
Compound Name: | 3-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]butanamide |
Molecular Weight: | 405.89 |
Molecular Formula: | C22 H20 Cl N5 O |
Smiles: | C(C(Cn1cccc1)c1ccc(cc1)[Cl])C(Nc1cccc(c1)c1nc[nH]n1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6842 |
logD: | 4.6809 |
logSw: | -5.2556 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.359 |
InChI Key: | HTMCTACINLYDJY-SFHVURJKSA-N |