1-(4-ethoxyphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
Chemical Structure Depiction of
1-(4-ethoxyphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
1-(4-ethoxyphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
Compound characteristics
| Compound ID: | E958-1187 |
| Compound Name: | 1-(4-ethoxyphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine |
| Molecular Weight: | 412.56 |
| Molecular Formula: | C21 H28 N6 O S |
| Smiles: | CCOc1ccc(CNCc2cccn2c2nnc(N3CCN(C)CC3)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.963 |
| logD: | 2.2349 |
| logSw: | -3.1408 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.72 |
| InChI Key: | OYOXICSXHXXULL-UHFFFAOYSA-N |