1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]methanamine
Chemical Structure Depiction of
1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]methanamine
1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-0983 |
| Compound Name: | 1-{1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]methanamine |
| Molecular Weight: | 466.65 |
| Molecular Formula: | C25 H34 N6 O S |
| Smiles: | COc1ccccc1CNCc1cccn1c1nnc(N2CCN(CC2)C2CCCCC2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6197 |
| logD: | 3.7993 |
| logSw: | -4.2694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.844 |
| InChI Key: | VKJAPVKURRKNJN-UHFFFAOYSA-N |