2-cyano-3-{4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0663 |
| Compound Name: | 2-cyano-3-{4-[(4-nitrobenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C23 H20 N6 O4 S |
| Smiles: | C1CCN(C1)c1nnc(NC(C(=C/c2ccc(cc2)OCc2ccc(cc2)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.87 |
| logD: | 4.71 |
| logSw: | -6.01 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 233.58 |
| InChI Key: | ACYWPHPKYZPLSQ-UHFFFAOYSA-N |