3-(3-bromophenyl)-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(3-bromophenyl)-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(3-bromophenyl)-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0051 |
| Compound Name: | 3-(3-bromophenyl)-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 391.29 |
| Molecular Formula: | C16 H15 Br N4 O S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cccc(c2)[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.87 |
| logD: | 2.94 |
| logSw: | -5.66 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.15 |
| InChI Key: | WFNJPZDQVSHJJR-UHFFFAOYSA-N |