ethyl 4-[(butan-2-yl)(3-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)amino]-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(butan-2-yl)(3-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)amino]-4-oxobutanoate
ethyl 4-[(butan-2-yl)(3-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | V026-7387 |
| Compound Name: | ethyl 4-[(butan-2-yl)(3-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)amino]-4-oxobutanoate |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C21 H27 Cl N4 O4 S |
| Smiles: | CCC(C)N(CCC(Nc1nnc(c2cccc(c2)[Cl])s1)=O)C(CCC(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2609 |
| logD: | 4.2606 |
| logSw: | -4.4554 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.082 |
| InChI Key: | UFSAQACECRLNOT-AWEZNQCLSA-N |