methyl 2-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
methyl 2-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y044-3627 |
| Compound Name: | methyl 2-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C18 H19 N5 O4 S |
| Smiles: | CC(C)c1c(C(=O)OC)nc(NC([C@H](C)N2C(c3ccccc3N=N2)=O)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 3.7401 |
| logD: | 3.7083 |
| logSw: | -4.1317 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.819 |
| InChI Key: | MXSXBPHRXFNYMD-JTQLQIEISA-N |