methyl 2-[(2S)-3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-[(2S)-3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
methyl 2-[(2S)-3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y044-3189 |
| Compound Name: | methyl 2-[(2S)-3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | CC(C)c1c(C(=O)OC)nc(NC([C@H](C(C)C)N2Cc3ccccc3C2=O)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 4.2125 |
| logD: | 4.058 |
| logSw: | -4.2624 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.365 |
| InChI Key: | KEGAVFBTKAHSLB-INIZCTEOSA-N |