{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone
{1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | E958-0152 |
| Compound Name: | {1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone |
| Molecular Weight: | 526.66 |
| Molecular Formula: | C26 H34 N6 O4 S |
| Smiles: | COc1ccc(CN2CCN(CC2)C(C2CCN(CC2)c2nnc(n3cccc3)s2)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0899 |
| logD: | 2.6052 |
| logSw: | -2.9236 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.064 |
| InChI Key: | RQCQJYXSBOSOEW-UHFFFAOYSA-N |