N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2,4-dimethoxyphenyl)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-(2,4-dimethoxyphenyl)ethan-1-amine
N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2,4-dimethoxyphenyl)ethan-1-amine
Compound characteristics
| Compound ID: | E958-1027 |
| Compound Name: | N-({1-[5-(4-cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2,4-dimethoxyphenyl)ethan-1-amine |
| Molecular Weight: | 510.7 |
| Molecular Formula: | C27 H38 N6 O2 S |
| Smiles: | COc1ccc(CCNCc2cccn2c2nnc(N3CCN(CC3)C3CCCCC3)s2)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5452 |
| logD: | 3.7247 |
| logSw: | -4.2092 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.229 |
| InChI Key: | TZBVBTMTQXBBBK-UHFFFAOYSA-N |