3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4109 |
| Compound Name: | 3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 506.38 |
| Molecular Formula: | C23 H16 Br N5 O2 S |
| Smiles: | C(c1nnc(NC(C(=C/c2cccn2c2ccc(cc2)[Br])\C#N)=O)s1)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.69 |
| logD: | 3.57 |
| logSw: | -6.55 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 146.3 |
| InChI Key: | ZPUWOUDTYVKKIB-UHFFFAOYSA-N |