methyl 4-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]benzoate
methyl 4-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | Y040-8722 |
| Compound Name: | methyl 4-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]benzoate |
| Molecular Weight: | 352.35 |
| Molecular Formula: | C18 H16 N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CCN1C(c2ccccc2N=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5103 |
| logD: | 2.5101 |
| logSw: | -2.9876 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.234 |
| InChI Key: | OMUOBOQKAMBYDV-UHFFFAOYSA-N |