3-(4-bromophenyl)-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(4-bromophenyl)-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(4-bromophenyl)-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-1218 |
| Compound Name: | 3-(4-bromophenyl)-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 455.35 |
| Molecular Formula: | C16 H15 Br N4 O3 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(cc2)[Br])\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.44 |
| logD: | 2.09 |
| logSw: | -5.16 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 206.84 |
| InChI Key: | QNFWOSXNMALCSI-UHFFFAOYSA-N |