N~1~-cyclohexyl-N~1~-methyl-N~3~-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propane-1,3-diamine
Chemical Structure Depiction of
N~1~-cyclohexyl-N~1~-methyl-N~3~-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propane-1,3-diamine
N~1~-cyclohexyl-N~1~-methyl-N~3~-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propane-1,3-diamine
Compound characteristics
| Compound ID: | E958-0850 |
| Compound Name: | N~1~-cyclohexyl-N~1~-methyl-N~3~-({1-[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propane-1,3-diamine |
| Molecular Weight: | 493.72 |
| Molecular Formula: | C27 H39 N7 S |
| Smiles: | CN(CCCNCc1cccn1c1nnc(N2CCN(CC2)c2ccccc2)s1)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2985 |
| logD: | 2.2693 |
| logSw: | -3.9746 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.26 |
| InChI Key: | MVZFAUHQCFRZCJ-UHFFFAOYSA-N |