methyl 2-[2-(1-oxo-7,8,9,10-tetrahydro[1,2,4]triazino[4,5-b]indazol-2(1H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(1-oxo-7,8,9,10-tetrahydro[1,2,4]triazino[4,5-b]indazol-2(1H)-yl)acetamido]benzoate
methyl 2-[2-(1-oxo-7,8,9,10-tetrahydro[1,2,4]triazino[4,5-b]indazol-2(1H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | G987-0038 |
| Compound Name: | methyl 2-[2-(1-oxo-7,8,9,10-tetrahydro[1,2,4]triazino[4,5-b]indazol-2(1H)-yl)acetamido]benzoate |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C19 H19 N5 O4 |
| Smiles: | COC(c1ccccc1NC(CN1C(c2c3CCCCc3nn2C=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3013 |
| logD: | 1.292 |
| logSw: | -2.4454 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.24 |
| InChI Key: | XNSUMGKXKOUKJY-UHFFFAOYSA-N |