2-cyano-3-(4-fluorophenyl)-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-fluorophenyl)-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(4-fluorophenyl)-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-1142 |
| Compound Name: | 2-cyano-3-(4-fluorophenyl)-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C15 H13 F N4 O3 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(cc2)F)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.98 |
| logD: | 0.63 |
| logSw: | -4.16 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 196.69 |
| InChI Key: | JOASGGMKYMAQNM-UHFFFAOYSA-N |