N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V026-4263 |
| Compound Name: | N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 619.06 |
| Molecular Formula: | C29 H26 Cl F3 N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(CCN(CCC(Nc2nnc(c3ccc(cc3)[Cl])s2)=O)C(c2cccc(c2)C(F)(F)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.4272 |
| logD: | 5.4269 |
| logSw: | -6.1125 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.818 |
| InChI Key: | PBOAGWUTLUCDKN-UHFFFAOYSA-N |