methyl 5-(2-methylpropyl)-2-[(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamido]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-(2-methylpropyl)-2-[(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamido]-1,3-thiazole-4-carboxylate
methyl 5-(2-methylpropyl)-2-[(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamido]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y043-5738 |
| Compound Name: | methyl 5-(2-methylpropyl)-2-[(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamido]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 395.54 |
| Molecular Formula: | C18 H25 N3 O3 S2 |
| Smiles: | CC(C)Cc1c(C(=O)OC)nc(NC([C@H](CCSC)n2cccc2)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 4.41 |
| logD: | 4.1926 |
| logSw: | -4.1721 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.115 |
| InChI Key: | ISIFPTIUDGSZGF-ZDUSSCGKSA-N |