N-[4-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide
Chemical Structure Depiction of
N-[4-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide
N-[4-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | D481-2665 |
| Compound Name: | N-[4-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C27 H25 N5 O2 S |
| Smiles: | CC(Nc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0876 |
| logD: | 4.0876 |
| logSw: | -4.0682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.029 |
| InChI Key: | XMQOTSNDQLRXEP-UHFFFAOYSA-N |