N-(3-chlorophenyl)-5-[(2-ethylbutanamido)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-[(2-ethylbutanamido)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-[(2-ethylbutanamido)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L061-0333 |
| Compound Name: | N-(3-chlorophenyl)-5-[(2-ethylbutanamido)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 366.87 |
| Molecular Formula: | C16 H19 Cl N4 O2 S |
| Smiles: | CCC(CC)C(NCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.42 |
| logD: | 3.4167 |
| logSw: | -3.675 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.014 |
| InChI Key: | IDISZJVMITYNGO-UHFFFAOYSA-N |