methyl 5-benzyl-2-[(2S)-3-methyl-2-(1H-pyrrol-1-yl)butanamido]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-benzyl-2-[(2S)-3-methyl-2-(1H-pyrrol-1-yl)butanamido]-1,3-thiazole-4-carboxylate
methyl 5-benzyl-2-[(2S)-3-methyl-2-(1H-pyrrol-1-yl)butanamido]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y043-5714 |
| Compound Name: | methyl 5-benzyl-2-[(2S)-3-methyl-2-(1H-pyrrol-1-yl)butanamido]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CC(C)[C@@H](C(Nc1nc(C(=O)OC)c(Cc2ccccc2)s1)=O)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 4.832 |
| logD: | 4.7413 |
| logSw: | -4.5261 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.879 |
| InChI Key: | YRCQHHSBGFDTEJ-SFHVURJKSA-N |