3-bromo-N-(butan-2-yl)-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)benzamide
Chemical Structure Depiction of
3-bromo-N-(butan-2-yl)-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)benzamide
3-bromo-N-(butan-2-yl)-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)benzamide
Compound characteristics
| Compound ID: | V002-1183 |
| Compound Name: | 3-bromo-N-(butan-2-yl)-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)benzamide |
| Molecular Weight: | 521.86 |
| Molecular Formula: | C22 H22 Br Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(CCC(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0308 |
| logD: | 6.0305 |
| logSw: | -6.1907 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.179 |
| InChI Key: | JWKYEIUSPZZVDO-AWEZNQCLSA-N |