methyl 5-methyl-2-[4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamido]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-methyl-2-[4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamido]-1,3-thiazole-4-carboxylate
methyl 5-methyl-2-[4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamido]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y042-7613 |
| Compound Name: | methyl 5-methyl-2-[4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamido]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 353.46 |
| Molecular Formula: | C15 H19 N3 O3 S2 |
| Smiles: | Cc1c(C(=O)OC)nc(NC(C(CCSC)n2cccc2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0856 |
| logD: | 2.8599 |
| logSw: | -3.1341 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.115 |
| InChI Key: | ZDBHOQGIQRAHBZ-NSHDSACASA-N |