5-chloro-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2,4-dimethoxyaniline
Chemical Structure Depiction of
5-chloro-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2,4-dimethoxyaniline
5-chloro-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2,4-dimethoxyaniline
Compound characteristics
| Compound ID: | E958-1990 |
| Compound Name: | 5-chloro-N-({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2,4-dimethoxyaniline |
| Molecular Weight: | 463 |
| Molecular Formula: | C21 H27 Cl N6 O2 S |
| Smiles: | CCN1CCN(CC1)c1nnc(n2cccc2CNc2cc(c(cc2OC)OC)[Cl])s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0384 |
| logD: | 3.1813 |
| logSw: | -4.3478 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.689 |
| InChI Key: | YEOLXMVORCTSOZ-UHFFFAOYSA-N |