4-{2-cyano-3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
4-{2-cyano-3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | 4277-0399 |
| Compound Name: | 4-{2-cyano-3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C22 H20 N4 O4 S2 |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(c(c2)OC)OC(c2cccs2)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1 |
| logD: | 3.17 |
| logSw: | -6.15 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 182.49 |
| InChI Key: | IGHGFGYJKICESW-UHFFFAOYSA-N |