3-(3-bromo-4-hydroxyphenyl)-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(3-bromo-4-hydroxyphenyl)-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(3-bromo-4-hydroxyphenyl)-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0373 |
| Compound Name: | 3-(3-bromo-4-hydroxyphenyl)-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 420.29 |
| Molecular Formula: | C16 H14 Br N5 O2 S |
| Smiles: | C1CCN(C1)c1nnc(NC(C(=C/c2ccc(c(c2)[Br])O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6 |
| logD: | 3.45 |
| logSw: | -4.42 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 178.14 |
| InChI Key: | PTRSEQANNDCBCB-UHFFFAOYSA-N |