4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 4-fluorobenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 4-fluorobenzoate
4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | 3773-1223 |
| Compound Name: | 4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 4-fluorobenzoate |
| Molecular Weight: | 466.49 |
| Molecular Formula: | C23 H19 F N4 O4 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccc(cc2)F)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.72 |
| logD: | 2.81 |
| logSw: | -5.56 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 183.52 |
| InChI Key: | PJUDCGSNVLXJSW-UHFFFAOYSA-N |