1-{1-[5-(4-cyclohexylpiperazin-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-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]methanamine
1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-0986 |
| Compound Name: | 1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-fluorophenyl)methyl]methanamine |
| Molecular Weight: | 454.61 |
| Molecular Formula: | C24 H31 F N6 S |
| Smiles: | C1CCC(CC1)N1CCN(CC1)c1nnc(n2cccc2CNCc2ccc(cc2)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4622 |
| logD: | 3.6417 |
| logSw: | -4.1967 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.214 |
| InChI Key: | ATHVINSEHTXCSB-UHFFFAOYSA-N |