methyl 2-({4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-({4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L365-0090 |
| Compound Name: | methyl 2-({4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C26 H26 N4 O3 S |
| Smiles: | [H]C(Cc1ccc(cc1)NC(Nc1c(C(=O)OC)c2CCCCc2s1)=O)c1nc2cc([H])ccc2n1[H] |
| Stereo: | ACHIRAL |
| logP: | 6.1179 |
| logD: | 4.8773 |
| logSw: | -5.5334 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.44 |
| InChI Key: | SCKHJTAYZQBALT-UHFFFAOYSA-N |