methyl 2-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
methyl 2-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y042-5490 |
| Compound Name: | methyl 2-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | C[C@@H](C(Nc1nc(C(=O)OC)c(CCc2ccccc2)s1)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.954 |
| logD: | 4.9222 |
| logSw: | -4.6608 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.548 |
| InChI Key: | WWQQKYZXXPJZRI-AWEZNQCLSA-N |