N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylbenzamide
Chemical Structure Depiction of
N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylbenzamide
N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylbenzamide
Compound characteristics
| Compound ID: | V026-4191 |
| Compound Name: | N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylbenzamide |
| Molecular Weight: | 579.12 |
| Molecular Formula: | C30 H31 Cl N4 O4 S |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)C(N(CCC(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)CCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6385 |
| logD: | 5.6382 |
| logSw: | -5.9877 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.818 |
| InChI Key: | JMBLOSCEMDOJHY-UHFFFAOYSA-N |