1-cyclohexyl-4-[5-(2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperazine
Chemical Structure Depiction of
1-cyclohexyl-4-[5-(2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperazine
1-cyclohexyl-4-[5-(2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperazine
Compound characteristics
| Compound ID: | E958-0966 |
| Compound Name: | 1-cyclohexyl-4-[5-(2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperazine |
| Molecular Weight: | 521.73 |
| Molecular Formula: | C28 H39 N7 O S |
| Smiles: | COc1cccc(c1)N1CCN(CC1)Cc1cccn1c1nnc(N2CCN(CC2)C2CCCCC2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8632 |
| logD: | 4.0428 |
| logSw: | -4.5855 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.984 |
| InChI Key: | PVJKWGDUWJCHEU-UHFFFAOYSA-N |