methyl 5-[(3-methylbutyl)carbamamido]-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(3-methylbutyl)carbamamido]-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate
methyl 5-[(3-methylbutyl)carbamamido]-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | L311-0436 |
| Compound Name: | methyl 5-[(3-methylbutyl)carbamamido]-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C20 H28 N2 O4 S |
| Smiles: | CC(C)CCNC(Nc1ccc2c(c1)c(c(C(=O)OC)s2)OCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4298 |
| logD: | 5.4298 |
| logSw: | -5.5829 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.57 |
| InChI Key: | NSTNJGDOWBRDJQ-UHFFFAOYSA-N |