N-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]isoleucine
Chemical Structure Depiction of
N-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]isoleucine
N-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]isoleucine
Compound characteristics
| Compound ID: | Y043-0197 |
| Compound Name: | N-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]isoleucine |
| Molecular Weight: | 321.4 |
| Molecular Formula: | C15 H19 N3 O3 S |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(c1c(C)nc(n2cccc2)s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9595 |
| logD: | -1.528 |
| logSw: | -2.0833 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.067 |
| InChI Key: | NPXICOVRMPLPHB-KOLCDFICSA-N |