N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2,4-dimethoxyaniline
Chemical Structure Depiction of
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2,4-dimethoxyaniline
N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2,4-dimethoxyaniline
Compound characteristics
| Compound ID: | E958-0632 |
| Compound Name: | N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2,4-dimethoxyaniline |
| Molecular Weight: | 490.63 |
| Molecular Formula: | C26 H30 N6 O2 S |
| Smiles: | COc1ccc(c(c1)OC)NCc1cccn1c1nnc(N2CCN(CC2)Cc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4947 |
| logD: | 4.334 |
| logSw: | -4.251 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.606 |
| InChI Key: | ADORSQRAOSHQRT-UHFFFAOYSA-N |