4-{2-cyano-3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 4-fluorobenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 4-fluorobenzoate
4-{2-cyano-3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | 4277-0508 |
| Compound Name: | 4-{2-cyano-3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 4-fluorobenzoate |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C24 H21 F N4 O4 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccc(cc2)F)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.18 |
| logD: | 3.25 |
| logSw: | -6.3 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 184.51 |
| InChI Key: | IMCCFNGYFZVCSZ-UHFFFAOYSA-N |