4-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylaniline
Chemical Structure Depiction of
4-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylaniline
4-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylaniline
Compound characteristics
| Compound ID: | E958-2067 |
| Compound Name: | 4-bromo-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylaniline |
| Molecular Weight: | 461.43 |
| Molecular Formula: | C20 H25 Br N6 S |
| Smiles: | CCN1CCN(CC1)c1nnc(n2cccc2CNc2ccc(c(C)c2)[Br])s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5539 |
| logD: | 3.6967 |
| logSw: | -4.1936 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.125 |
| InChI Key: | DKMCABOOQVMNIE-UHFFFAOYSA-N |