ethyl 4-{(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoate
ethyl 4-{(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoate
Compound characteristics
| Compound ID: | V026-6021 |
| Compound Name: | ethyl 4-{(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoate |
| Molecular Weight: | 575.08 |
| Molecular Formula: | C27 H31 Cl N4 O6 S |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N(CCC(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)CCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7066 |
| logD: | 3.7063 |
| logSw: | -4.3559 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.721 |
| InChI Key: | INPRPHDCLXTVHF-UHFFFAOYSA-N |