4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl acetate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl acetate
4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl acetate
Compound characteristics
| Compound ID: | C277-0017 |
| Compound Name: | 4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl acetate |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C17 H16 N4 O3 S2 |
| Smiles: | CC(C)Sc1nc(NC(C(=C/c2ccc(cc2)OC(C)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.8 |
| logD: | 3.12 |
| logSw: | -4.86 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 207.42 |
| InChI Key: | XAONZBAPPWVBTB-UHFFFAOYSA-N |