N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2-methoxyphenyl)ethan-1-amine
Chemical Structure Depiction of
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2-methoxyphenyl)ethan-1-amine
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2-methoxyphenyl)ethan-1-amine
Compound characteristics
| Compound ID: | E958-0705 |
| Compound Name: | N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2-methoxyphenyl)ethan-1-amine |
| Molecular Weight: | 488.65 |
| Molecular Formula: | C27 H32 N6 O S |
| Smiles: | COc1ccccc1CCNCc1cccn1c1nnc(N2CCN(CC2)Cc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2061 |
| logD: | 3.6283 |
| logSw: | -4.1626 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.132 |
| InChI Key: | VHJKJIIQPPLAHV-UHFFFAOYSA-N |