1-(4-methylphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
Chemical Structure Depiction of
1-(4-methylphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
1-(4-methylphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
Compound characteristics
| Compound ID: | E958-1131 |
| Compound Name: | 1-(4-methylphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine |
| Molecular Weight: | 382.53 |
| Molecular Formula: | C20 H26 N6 S |
| Smiles: | Cc1ccc(CNCc2cccn2c2nnc(N3CCN(C)CC3)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0175 |
| logD: | 2.2893 |
| logSw: | -2.9903 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.597 |
| InChI Key: | KJLDPNWYVRQSES-UHFFFAOYSA-N |