N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3,4-dimethoxyaniline
Chemical Structure Depiction of
N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3,4-dimethoxyaniline
N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3,4-dimethoxyaniline
Compound characteristics
| Compound ID: | E958-0956 |
| Compound Name: | N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3,4-dimethoxyaniline |
| Molecular Weight: | 482.65 |
| Molecular Formula: | C25 H34 N6 O2 S |
| Smiles: | COc1ccc(cc1OC)NCc1cccn1c1nnc(N2CCN(CC2)C2CCCCC2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4085 |
| logD: | 3.5881 |
| logSw: | -4.2348 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.943 |
| InChI Key: | XHGZMZYMWOBFDF-UHFFFAOYSA-N |