{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanone
Compound characteristics
| Compound ID: | G015-0322 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanone |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C23 H26 N6 O3 S |
| Smiles: | C1CCN(C1)c1nnc(n2cccc2C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3313 |
| logD: | 3.1392 |
| logSw: | -3.4398 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.544 |
| InChI Key: | YMCNSQXIHXWXTB-UHFFFAOYSA-N |