methyl 2-{2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | J084-0038 |
| Compound Name: | methyl 2-{2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C25 H19 N5 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnc2c3ccccc3nc(c3ccccc3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4797 |
| logD: | 4.4614 |
| logSw: | -4.3597 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.936 |
| InChI Key: | FJYVTSSYQPDMNB-UHFFFAOYSA-N |