methyl 2-(2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D692-0132 |
| Compound Name: | methyl 2-(2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 499.55 |
| Molecular Formula: | C26 H21 N5 O4 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnc2c3ccccc3nc(c3ccc(cc3)OC)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5672 |
| logD: | 4.5509 |
| logSw: | -4.3655 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.479 |
| InChI Key: | KKWNMRDIOXADKT-UHFFFAOYSA-N |