4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 3,4-dimethoxybenzoate
4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C277-5729 |
| Compound Name: | 4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 526.59 |
| Molecular Formula: | C24 H22 N4 O6 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccc(c(c2)OC)OC)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.48 |
| logD: | 3.81 |
| logSw: | -5.14 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 240.35 |
| InChI Key: | BRZAGDYEALJSPN-UHFFFAOYSA-N |