N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-fluoroaniline
Chemical Structure Depiction of
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-fluoroaniline
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-fluoroaniline
Compound characteristics
| Compound ID: | E958-0635 |
| Compound Name: | N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-fluoroaniline |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C24 H25 F N6 S |
| Smiles: | C(c1cccn1c1nnc(N2CCN(CC2)Cc2ccccc2)s1)Nc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 4.6862 |
| logD: | 4.5256 |
| logSw: | -4.6672 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.129 |
| InChI Key: | FOMRNRUUZIQICU-UHFFFAOYSA-N |