N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-methylpropanamido)benzamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-methylpropanamido)benzamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-methylpropanamido)benzamide
Compound characteristics
| Compound ID: | 6040-3342 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-methylpropanamido)benzamide |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C20 H19 Cl N4 O2 S |
| Smiles: | CC(C)C(Nc1cccc(c1)C(Nc1nnc(Cc2ccc(cc2)[Cl])s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8033 |
| logD: | 4.4732 |
| logSw: | -4.843 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.461 |
| InChI Key: | OBNITPPEGJWJMJ-UHFFFAOYSA-N |