methyl 5-{[3-(methylsulfanyl)phenyl]carbamamido}-3-propoxy-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[3-(methylsulfanyl)phenyl]carbamamido}-3-propoxy-1-benzothiophene-2-carboxylate
methyl 5-{[3-(methylsulfanyl)phenyl]carbamamido}-3-propoxy-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | L311-0157 |
| Compound Name: | methyl 5-{[3-(methylsulfanyl)phenyl]carbamamido}-3-propoxy-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 430.54 |
| Molecular Formula: | C21 H22 N2 O4 S2 |
| Smiles: | CCCOc1c2cc(ccc2sc1C(=O)OC)NC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9193 |
| logD: | 5.9193 |
| logSw: | -5.5889 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.053 |
| InChI Key: | XTNNUWLCUABYSR-UHFFFAOYSA-N |