N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)heptanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)heptanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)heptanamide
Compound characteristics
| Compound ID: | V026-4181 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)heptanamide |
| Molecular Weight: | 538.71 |
| Molecular Formula: | C29 H38 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCCCCCC(N(CCC(Nc1nnc(c2ccc(C)cc2)s1)=O)CCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6001 |
| logD: | 5.5998 |
| logSw: | -5.1658 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.562 |
| InChI Key: | XIJHQQWFOSVMPR-UHFFFAOYSA-N |