N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-fluoroaniline
Chemical Structure Depiction of
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-fluoroaniline
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-fluoroaniline
Compound characteristics
| Compound ID: | E958-1456 |
| Compound Name: | N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-fluoroaniline |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C19 H22 F N5 S |
| Smiles: | C1CCCN(CC1)c1nnc(n2cccc2CNc2ccc(cc2)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.869 |
| logD: | 4.869 |
| logSw: | -4.6389 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.92 |
| InChI Key: | XPUHHZCKUNIEGC-UHFFFAOYSA-N |