N-[1-(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-[1-(1H-benzimidazol-2-yl)ethyl]-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-[1-(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: | J084-0885 |
| Compound Name: | N-[1-(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: | CC(c1nc2ccccc2[nH]1)NC(CSc1nnc2c3ccccc3nc(c3ccc(C)cc3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7968 |
| logD: | 4.7675 |
| logSw: | -4.7081 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.236 |
| InChI Key: | YRKBGGLXACIJLZ-KRWDZBQOSA-N |