N~1~-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyanoacrylamide
N~1~-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyanoacrylamide
Compound characteristics
| Compound ID: | C639-0425 |
| Compound Name: | N~1~-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyanoacrylamide |
| Molecular Weight: | 525.07 |
| Molecular Formula: | C24 H17 Cl N4 O2 S3 |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1ccc(/C=C(/C#N)C(Nc2nnc(SCc3ccccc3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.69 |
| logD: | 6.19 |
| logSw: | -7.06 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 216.58 |
| InChI Key: | GCFSMDNIPXHGGN-UHFFFAOYSA-N |