methyl 2-[({5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[({5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[({5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L062-0088 |
| Compound Name: | methyl 2-[({5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C21 H20 F N5 O4 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(NCc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5314 |
| logD: | 2.5135 |
| logSw: | -4.116 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.843 |
| InChI Key: | MWTCNUOAJXPASO-UHFFFAOYSA-N |