N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | D513-0277 |
Compound Name: | N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
Molecular Weight: | 422.51 |
Molecular Formula: | C21 H22 N6 O2 S |
Smiles: | C1CN(CCN1C(c1ccc(cc1)NC(CSc1nnc[nH]1)=O)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 1.2865 |
logD: | 0.932 |
logSw: | -2.2403 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.45 |
InChI Key: | YAVLGEPDFBTHHB-UHFFFAOYSA-N |