3-(azepan-1-yl)-N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propan-1-amine
Chemical Structure Depiction of
3-(azepan-1-yl)-N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propan-1-amine
3-(azepan-1-yl)-N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propan-1-amine
Compound characteristics
| Compound ID: | E958-0682 |
| Compound Name: | 3-(azepan-1-yl)-N-({1-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propan-1-amine |
| Molecular Weight: | 493.72 |
| Molecular Formula: | C27 H39 N7 S |
| Smiles: | C1CCCN(CC1)CCCNCc1cccn1c1nnc(N2CCN(CC2)Cc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7283 |
| logD: | 1.6534 |
| logSw: | -3.8881 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.816 |
| InChI Key: | UWUMGSWVRIIEDW-UHFFFAOYSA-N |