2-cyano-3-(1H-indol-3-yl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(1H-indol-3-yl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(1H-indol-3-yl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0947 |
| Compound Name: | 2-cyano-3-(1H-indol-3-yl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C18 H17 N5 O3 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2c[nH]c3ccccc23)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.55 |
| logD: | 0.77 |
| logSw: | -4.39 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 217.2 |
| InChI Key: | XCNVRJNAHDVFTD-UHFFFAOYSA-N |