2-cyano-3-(1H-indol-3-yl)-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(1H-indol-3-yl)-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(1H-indol-3-yl)-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-1238 |
| Compound Name: | 2-cyano-3-(1H-indol-3-yl)-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C18 H17 N5 O3 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2c[nH]c3ccccc23)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.68 |
| logD: | 0.89 |
| logSw: | -4.57 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 226.71 |
| InChI Key: | DVCDIOVCSSYRPU-UHFFFAOYSA-N |