2-cyano-N~1~-[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-oxo-4H-chromen-3-yl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-oxo-4H-chromen-3-yl)acrylamide
2-cyano-N~1~-[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-oxo-4H-chromen-3-yl)acrylamide
Compound characteristics
| Compound ID: | C679-2015 |
| Compound Name: | 2-cyano-N~1~-[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-oxo-4H-chromen-3-yl)acrylamide |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C18 H14 N4 O3 S2 |
| Smiles: | CC(C)Sc1nc(NC(C(=C/C2=COc3ccccc3C2=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.9 |
| logD: | 1.83 |
| logSw: | -4.76 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 199.31 |
| InChI Key: | MJZMXHSLJPPOGR-UHFFFAOYSA-N |