ethyl 4-[(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)(propyl)amino]-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)(propyl)amino]-4-oxobutanoate
ethyl 4-[(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)(propyl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | V008-6068 |
| Compound Name: | ethyl 4-[(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)(propyl)amino]-4-oxobutanoate |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C20 H25 Cl N4 O4 S |
| Salt: | not_available |
| Smiles: | CCCN(CCC(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)C(CCC(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3586 |
| logD: | 3.3583 |
| logSw: | -3.8375 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.732 |
| InChI Key: | NQHWPFMITUORLR-UHFFFAOYSA-N |