(2S)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Chemical Structure Depiction of
(2S)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
(2S)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y044-1753 |
| Compound Name: | (2S)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide |
| Molecular Weight: | 408.44 |
| Molecular Formula: | C19 H16 N6 O3 S |
| Smiles: | C[C@@H](C(Nc1nnc(c2ccccc2OC)s1)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.6208 |
| logD: | 3.6207 |
| logSw: | -3.9447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.732 |
| InChI Key: | BRINVQNPJQFPPI-NSHDSACASA-N |