3-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0437 |
| Compound Name: | 3-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 486.95 |
| Molecular Formula: | C23 H20 Cl F N4 O3 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCc2ccc(cc2)F)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.85 |
| logD: | 3.94 |
| logSw: | -6.91 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 143.21 |
| InChI Key: | LTVUVRMMYMCISE-UHFFFAOYSA-N |