4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-chlorobenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-chlorobenzoate
4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | C355-1187 |
| Compound Name: | 4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-chlorobenzoate |
| Molecular Weight: | 547.01 |
| Molecular Formula: | C23 H19 Cl N4 O6 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccc(cc2)[Cl])=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6 |
| logD: | 2.25 |
| logSw: | -5.51 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 238.51 |
| InChI Key: | CTNSBLGXGHNDLH-UHFFFAOYSA-N |