methyl 3-ethoxy-5-{[(4-methylphenyl)methyl]carbamamido}-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-ethoxy-5-{[(4-methylphenyl)methyl]carbamamido}-1-benzothiophene-2-carboxylate
methyl 3-ethoxy-5-{[(4-methylphenyl)methyl]carbamamido}-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | L311-0057 |
| Compound Name: | methyl 3-ethoxy-5-{[(4-methylphenyl)methyl]carbamamido}-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CCOc1c2cc(ccc2sc1C(=O)OC)NC(NCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6574 |
| logD: | 4.6574 |
| logSw: | -4.2875 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.081 |
| InChI Key: | YPHZXYGENQPIDE-UHFFFAOYSA-N |