methyl 2-(2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | J084-0776 |
| Compound Name: | methyl 2-(2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C26 H21 N5 O3 S |
| Smiles: | Cc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0082 |
| logD: | 4.9659 |
| logSw: | -4.7408 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.936 |
| InChI Key: | OKPPPYIZQWCRRS-UHFFFAOYSA-N |