(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Chemical Structure Depiction of
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Compound characteristics
| Compound ID: | Y040-8755 |
| Compound Name: | (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C22 H26 N4 O4 |
| Smiles: | CC(C)[C@@H](C(NCCc1ccc(c(c1)OC)OC)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1975 |
| logD: | 3.1975 |
| logSw: | -3.5835 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.873 |
| InChI Key: | CMBUZNOPWFAIAY-FQEVSTJZSA-N |