3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0409 |
| Compound Name: | 3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 470.39 |
| Molecular Formula: | C21 H20 Br N5 O S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2cc(C)n(c3ccc(cc3)[Br])c2C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2 |
| logD: | 3.97 |
| logSw: | -6.17 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 134.84 |
| InChI Key: | UKGFFQDUTFADLB-UHFFFAOYSA-N |