5-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]thiophene-2-carboxylic acid
Chemical Structure Depiction of
5-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]thiophene-2-carboxylic acid
5-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]thiophene-2-carboxylic acid
Compound characteristics
| Compound ID: | C863-0116 |
| Compound Name: | 5-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]thiophene-2-carboxylic acid |
| Molecular Weight: | 307.43 |
| Molecular Formula: | C15 H17 N O2 S2 |
| Smiles: | CSc1ccc(CCNCc2ccc(C(O)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7578 |
| logD: | 2.7578 |
| logSw: | -3.0333 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.272 |
| InChI Key: | ZIGAMECKCIMPJI-UHFFFAOYSA-N |