1-(3-ethoxy-4-methoxyphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
Chemical Structure Depiction of
1-(3-ethoxy-4-methoxyphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
1-(3-ethoxy-4-methoxyphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
Compound characteristics
| Compound ID: | E958-1179 |
| Compound Name: | 1-(3-ethoxy-4-methoxyphenyl)-N-({1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C22 H30 N6 O2 S |
| Smiles: | CCOc1cc(CNCc2cccn2c2nnc(N3CCN(C)CC3)s2)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3546 |
| logD: | 1.6264 |
| logSw: | -2.7928 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.437 |
| InChI Key: | NPLVOWLLWOICRN-UHFFFAOYSA-N |