1-[5-(2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]azepane
Chemical Structure Depiction of
1-[5-(2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]azepane
1-[5-(2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]azepane
Compound characteristics
| Compound ID: | E958-1479 |
| Compound Name: | 1-[5-(2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]azepane |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C23 H29 F N6 S |
| Smiles: | C1CCCN(CC1)c1nnc(n2cccc2CN2CCN(CC2)c2ccc(cc2)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7447 |
| logD: | 4.7433 |
| logSw: | -4.5111 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 36.678 |
| InChI Key: | CWLLQGSCIYEQLI-UHFFFAOYSA-N |