methyl 3-[({5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 3-[({5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamamido]benzoate
methyl 3-[({5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | L062-0071 |
| Compound Name: | methyl 3-[({5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)carbamamido]benzoate |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C19 H16 F N5 O4 S |
| Smiles: | COC(c1cccc(c1)NC(NCc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1566 |
| logD: | 3.1539 |
| logSw: | -3.5989 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.128 |
| InChI Key: | BMPHIOBPBRAHHG-UHFFFAOYSA-N |