4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 4-chlorobenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 4-chlorobenzoate
4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | 3773-2239 |
| Compound Name: | 4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 4-chlorobenzoate |
| Molecular Weight: | 482.94 |
| Molecular Formula: | C23 H19 Cl N4 O4 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccc(cc2)[Cl])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.28 |
| logD: | 3.37 |
| logSw: | -6.45 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 182.05 |
| InChI Key: | MWFPXZKTEPNEBO-UHFFFAOYSA-N |