N-[2-(1H-benzimidazol-2-yl)ethyl]-2-{[5-(4-methylphenyl)[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-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J084-0886 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-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(NCCc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6173 |
| logD: | 4.5881 |
| logSw: | -4.2626 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.905 |
| InChI Key: | QNCWQPISGYFANK-UHFFFAOYSA-N |