4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
Chemical Structure Depiction of
4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
Compound characteristics
| Compound ID: | Y042-3529 |
| Compound Name: | 4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)butanamide |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C20 H22 N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCCN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5593 |
| logD: | 1.5586 |
| logSw: | -2.549 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.038 |
| InChI Key: | VTLQUYRRKDFGBJ-UHFFFAOYSA-N |