3-(5-bromothiophen-2-yl)-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
3-(5-bromothiophen-2-yl)-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-1,2-oxazole-4-carboxamide
3-(5-bromothiophen-2-yl)-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-1,2-oxazole-4-carboxamide
Compound characteristics
Compound ID: | F082-1027 |
Compound Name: | 3-(5-bromothiophen-2-yl)-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-5-methyl-1,2-oxazole-4-carboxamide |
Molecular Weight: | 495.48 |
Molecular Formula: | C22 H31 Br N4 O2 S |
Smiles: | Cc1c(C(NCCCN2CCN(CC2)C2CCCCC2)=O)c(c2ccc(s2)[Br])no1 |
Stereo: | ACHIRAL |
logP: | 3.7064 |
logD: | 2.7961 |
logSw: | -3.9391 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.548 |
InChI Key: | QPJKBJBBIJKXTG-UHFFFAOYSA-N |