5-{2-[(3,4-dimethoxyanilino)methyl]-1H-pyrrol-1-yl}-N,N-diethyl-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
5-{2-[(3,4-dimethoxyanilino)methyl]-1H-pyrrol-1-yl}-N,N-diethyl-1,3,4-thiadiazol-2-amine
5-{2-[(3,4-dimethoxyanilino)methyl]-1H-pyrrol-1-yl}-N,N-diethyl-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | E958-1038 |
| Compound Name: | 5-{2-[(3,4-dimethoxyanilino)methyl]-1H-pyrrol-1-yl}-N,N-diethyl-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C19 H25 N5 O2 S |
| Smiles: | CCN(CC)c1nnc(n2cccc2CNc2ccc(c(c2)OC)OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5491 |
| logD: | 3.5491 |
| logSw: | -3.7084 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.133 |
| InChI Key: | VGUKQWGXTIFJSE-UHFFFAOYSA-N |