1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]methanamine
Chemical Structure Depiction of
1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]methanamine
1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-0658 |
| Compound Name: | 1-{1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]methanamine |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C25 H27 F N6 S |
| Smiles: | C(c1ccc(cc1)F)NCc1cccn1c1nnc(N2CCN(CC2)Cc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1214 |
| logD: | 3.9608 |
| logSw: | -4.1722 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.66 |
| InChI Key: | ABJCUCRIUYILNH-UHFFFAOYSA-N |