methyl 2-{[4-(1-methyl-1H-benzimidazol-2-yl)piperazine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[4-(1-methyl-1H-benzimidazol-2-yl)piperazine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[4-(1-methyl-1H-benzimidazol-2-yl)piperazine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L053-0188 |
| Compound Name: | methyl 2-{[4-(1-methyl-1H-benzimidazol-2-yl)piperazine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | [H]c1cc2c(cc1[H])n(C)c(n2)N1CCN(CC1)C(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1832 |
| logD: | 3.3021 |
| logSw: | -4.3542 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.408 |
| InChI Key: | LTJSIXMGHDISDS-UHFFFAOYSA-N |