N~1~-cyclohexyl-N~3~-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-N~1~-methylpropane-1,3-diamine
Chemical Structure Depiction of
N~1~-cyclohexyl-N~3~-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-N~1~-methylpropane-1,3-diamine
N~1~-cyclohexyl-N~3~-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-N~1~-methylpropane-1,3-diamine
Compound characteristics
| Compound ID: | E958-1014 |
| Compound Name: | N~1~-cyclohexyl-N~3~-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-N~1~-methylpropane-1,3-diamine |
| Molecular Weight: | 499.77 |
| Molecular Formula: | C27 H45 N7 S |
| Smiles: | CN(CCCNCc1cccn1c1nnc(N2CCN(CC2)C2CCCCC2)s1)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3203 |
| logD: | 2.2911 |
| logSw: | -3.9328 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.093 |
| InChI Key: | CLCGOGNKJMVWMU-UHFFFAOYSA-N |