3,4,5-triethoxy-N-[(2Z)-5-(3-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Chemical Structure Depiction of
3,4,5-triethoxy-N-[(2Z)-5-(3-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
3,4,5-triethoxy-N-[(2Z)-5-(3-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Compound characteristics
| Compound ID: | IB03-0364 |
| Compound Name: | 3,4,5-triethoxy-N-[(2Z)-5-(3-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(/N=C1/NN=C(c2cccc(C)c2)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.26 |
| logD: | 3.64 |
| logSw: | -5.04 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.51 |
| InChI Key: | KYVLDXMVIMXJNQ-UHFFFAOYSA-N |