[4-(4-nitrophenyl)piperazin-1-yl]{1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanone
Chemical Structure Depiction of
[4-(4-nitrophenyl)piperazin-1-yl]{1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanone
[4-(4-nitrophenyl)piperazin-1-yl]{1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanone
Compound characteristics
Compound ID: | G015-0261 |
Compound Name: | [4-(4-nitrophenyl)piperazin-1-yl]{1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanone |
Molecular Weight: | 453.52 |
Molecular Formula: | C21 H23 N7 O3 S |
Smiles: | C1CCN(C1)c1nnc(n2cccc2C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)s1 |
Stereo: | ACHIRAL |
logP: | 3.8263 |
logD: | 3.8263 |
logSw: | -3.9211 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 82.53 |
InChI Key: | TXRDIAOJJNABGV-UHFFFAOYSA-N |