N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-nitrophenyl)acetamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-nitrophenyl)acetamide
Compound characteristics
Compound ID: | Y032-2476 |
Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-nitrophenyl)acetamide |
Molecular Weight: | 388.83 |
Molecular Formula: | C17 H13 Cl N4 O3 S |
Smiles: | C(C(Nc1nnc(Cc2ccc(cc2)[Cl])s1)=O)c1ccccc1[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.3116 |
logD: | 4.2754 |
logSw: | -4.7461 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.965 |
InChI Key: | BAGFIQLAZWBLNL-UHFFFAOYSA-N |