N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methoxyaniline
Chemical Structure Depiction of
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methoxyaniline
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methoxyaniline
Compound characteristics
| Compound ID: | E958-0629 |
| Compound Name: | N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methoxyaniline |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C25 H28 N6 O S |
| Smiles: | COc1cccc(c1)NCc1cccn1c1nnc(N2CCN(CC2)Cc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5992 |
| logD: | 4.4386 |
| logSw: | -4.3898 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.673 |
| InChI Key: | YPTZMAHIHNEYLU-UHFFFAOYSA-N |