2-bromo-4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-furoate
Chemical Structure Depiction of
2-bromo-4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-furoate
2-bromo-4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-furoate
Compound characteristics
| Compound ID: | C277-0063 |
| Compound Name: | 2-bromo-4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-furoate |
| Molecular Weight: | 549.42 |
| Molecular Formula: | C21 H17 Br N4 O5 S2 |
| Smiles: | CC(C)Sc1nc(NC(C(=C/c2cc(c(c(c2)[Br])OC(c2ccco2)=O)OC)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.18 |
| logD: | 4.51 |
| logSw: | -6.45 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 210.94 |
| InChI Key: | FFOUVUGJBBKCFQ-UHFFFAOYSA-N |