N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]tryptophan
Chemical Structure Depiction of
N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]tryptophan
N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]tryptophan
Compound characteristics
| Compound ID: | 8015-7159 |
| Compound Name: | N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]tryptophan |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | CC(C)(C#Cc1ccc(C(NC(Cc2c[nH]c3ccccc23)C(O)=O)=O)s1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9614 |
| logD: | -0.5296 |
| logSw: | -3.1258 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 79.767 |
| InChI Key: | JPTMKLWAVSFLCA-KRWDZBQOSA-N |