2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(4-isopropylphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(4-isopropylphenyl)acrylamide
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(4-isopropylphenyl)acrylamide
Compound characteristics
| Compound ID: | C356-0555 |
| Compound Name: | 2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(4-isopropylphenyl)acrylamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C17 H18 N4 O3 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(cc2)C(C)C)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.96 |
| logD: | 1.61 |
| logSw: | -4.86 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 206.06 |
| InChI Key: | PHDACQUQHJNXTJ-UHFFFAOYSA-N |