N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J084-0332 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C26 H21 N7 O S |
| Smiles: | C(CNC(CSc1nnc2c3ccccc3nc(c3ccccc3)n12)=O)c1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.0889 |
| logD: | 4.0754 |
| logSw: | -4.3296 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.905 |
| InChI Key: | GPVMNKUCCQRZSJ-UHFFFAOYSA-N |