ethyl 2-{[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | G331-0061 |
| Compound Name: | ethyl 2-{[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(NCc1cccn1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8378 |
| logD: | 3.8489 |
| logSw: | -4.6186 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.403 |
| InChI Key: | QDBKPFQNOZJUJX-UHFFFAOYSA-N |