3-{3-chloro-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-2230 |
| Compound Name: | 3-{3-chloro-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 499.95 |
| Molecular Formula: | C23 H19 Cl F N5 O3 S |
| Smiles: | C1COCCN1c1nnc(NC(C(=C/c2ccc(c(c2)[Cl])OCc2ccccc2F)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7 |
| logD: | 4.54 |
| logSw: | -5.53 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 158.19 |
| InChI Key: | QCOCRHAEVXCSRB-UHFFFAOYSA-N |