N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-3,5,5-trimethylhexanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-3,5,5-trimethylhexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-3,5,5-trimethylhexanamide
Compound characteristics
| Compound ID: | V025-8385 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-{[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-3,5,5-trimethylhexanamide |
| Molecular Weight: | 582.76 |
| Molecular Formula: | C31 H42 N4 O5 S |
| Salt: | not_available |
| Smiles: | CC(CC(N(CCC(Nc1nnc(c2cccc(c2)OC)s1)=O)CCc1ccc(c(c1)OC)OC)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5506 |
| logD: | 5.5503 |
| logSw: | -5.4544 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.106 |
| InChI Key: | JJKPIFKMHAYDPA-OAQYLSRUSA-N |