N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyanoacrylamide
N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyanoacrylamide
Compound characteristics
| Compound ID: | C639-0415 |
| Compound Name: | N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyanoacrylamide |
| Molecular Weight: | 525.07 |
| Molecular Formula: | C24 H17 Cl N4 O2 S3 |
| Smiles: | C(c1ccccc1)Sc1nc(NC(C(=C/c2ccc(o2)SCc2ccc(cc2)[Cl])\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 6.67 |
| logD: | 6.17 |
| logSw: | -7.06 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 206.59 |
| InChI Key: | YHCVJXZVVCPJQS-UHFFFAOYSA-N |