2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0138 |
| Compound Name: | 2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 410.28 |
| Molecular Formula: | C16 H13 Cl2 N5 O2 S |
| Smiles: | C1CCN(C1)c1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])O)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.94 |
| logD: | 4.56 |
| logSw: | -5.58 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 162.08 |
| InChI Key: | UMXWCNXJOWPHQS-UHFFFAOYSA-N |