1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2,4-dimethoxyphenyl)methyl]methanamine
Chemical Structure Depiction of
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2,4-dimethoxyphenyl)methyl]methanamine
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2,4-dimethoxyphenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-1513 |
| Compound Name: | 1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2,4-dimethoxyphenyl)methyl]methanamine |
| Molecular Weight: | 427.57 |
| Molecular Formula: | C22 H29 N5 O2 S |
| Smiles: | COc1ccc(CNCc2cccn2c2nnc(N3CCCCCC3)s2)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4568 |
| logD: | 4.3992 |
| logSw: | -4.2579 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.625 |
| InChI Key: | BPZDCURQCKMQAS-UHFFFAOYSA-N |