ethyl 4-[(1-{[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-methyl-1-oxopentan-2-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(1-{[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-methyl-1-oxopentan-2-yl)amino]-4-oxobutanoate
ethyl 4-[(1-{[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-methyl-1-oxopentan-2-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | V015-5810 |
| Compound Name: | ethyl 4-[(1-{[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-methyl-1-oxopentan-2-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 497.41 |
| Molecular Formula: | C20 H25 Br N4 O4 S |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccc(cc2)[Br])s1)=O)NC(CCC(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4378 |
| logD: | 4.4372 |
| logSw: | -4.112 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.857 |
| InChI Key: | KRQGXFXZKBCUGH-UHFFFAOYSA-N |