N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2-methoxyphenyl)ethan-1-amine
Chemical Structure Depiction of
N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2-methoxyphenyl)ethan-1-amine
N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2-methoxyphenyl)ethan-1-amine
Compound characteristics
| Compound ID: | E958-1033 |
| Compound Name: | N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2-methoxyphenyl)ethan-1-amine |
| Molecular Weight: | 480.68 |
| Molecular Formula: | C26 H36 N6 O S |
| Smiles: | COc1ccccc1CCNCc1cccn1c1nnc(N2CCN(CC2)C2CCCCC2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5469 |
| logD: | 3.7264 |
| logSw: | -4.1417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.685 |
| InChI Key: | RIWLYONDEOUTQB-UHFFFAOYSA-N |