N-[(1H-benzimidazol-2-yl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(1H-benzimidazol-2-yl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
N-[(1H-benzimidazol-2-yl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J084-0330 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 465.54 |
| Molecular Formula: | C25 H19 N7 O S |
| Smiles: | C(c1nc2ccccc2[nH]1)NC(CSc1nnc2c3ccccc3nc(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4134 |
| logD: | 4.408 |
| logSw: | -4.4312 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.063 |
| InChI Key: | POSGOBOFSLZZPC-UHFFFAOYSA-N |