N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J084-0840 |
| Compound Name: | N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 493.59 |
| Molecular Formula: | C27 H23 N7 O S |
| Smiles: | Cc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC(NCc1nc2ccccc2n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8247 |
| logD: | 4.7954 |
| logSw: | -4.7263 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.768 |
| InChI Key: | LODRVOATYWXFTE-UHFFFAOYSA-N |