N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(2RS)-2-phenylcyclopropane-1-carbonyl]-N~3~-(1-phenylethyl)-beta-alaninamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(2RS)-2-phenylcyclopropane-1-carbonyl]-N~3~-(1-phenylethyl)-beta-alaninamide
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(2RS)-2-phenylcyclopropane-1-carbonyl]-N~3~-(1-phenylethyl)-beta-alaninamide
Compound characteristics
| Compound ID: | V024-4290 |
| Compound Name: | N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(2RS)-2-phenylcyclopropane-1-carbonyl]-N~3~-(1-phenylethyl)-beta-alaninamide |
| Molecular Weight: | 531.08 |
| Molecular Formula: | C29 H27 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(c1ccccc1)N(CCC(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)C(C1C[C@H]1c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6525 |
| logD: | 6.6522 |
| logSw: | -6.3606 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.195 |
| InChI Key: | SPCFXKOGTHIHQM-WDEWVQCLSA-N |