1-(2,4-dimethoxyphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
Chemical Structure Depiction of
1-(2,4-dimethoxyphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
1-(2,4-dimethoxyphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
Compound characteristics
| Compound ID: | E958-1185 |
| Compound Name: | 1-(2,4-dimethoxyphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C21 H28 N6 O2 S |
| Smiles: | CN1CCN(CC1)c1nnc(n2cccc2CNCc2ccc(cc2OC)OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.779 |
| logD: | 2.0508 |
| logSw: | -3.2865 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.771 |
| InChI Key: | AOVPWNXJGAYKEI-UHFFFAOYSA-N |