3-bromo-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Chemical Structure Depiction of
3-bromo-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
3-bromo-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | V026-6303 |
| Compound Name: | 3-bromo-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide |
| Molecular Weight: | 629.96 |
| Molecular Formula: | C28 H26 Br Cl N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(CCN(CCC(Nc2nnc(c3ccc(cc3)[Cl])s2)=O)C(c2cccc(c2)[Br])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.4726 |
| logD: | 5.4723 |
| logSw: | -6.0408 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.818 |
| InChI Key: | UBMYSXLSFIXONG-UHFFFAOYSA-N |