2-(3-chlorophenyl)-1-{3-(dimethylamino)-3-[1-(3-methylbutyl)-1H-tetrazol-5-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-1-{3-(dimethylamino)-3-[1-(3-methylbutyl)-1H-tetrazol-5-yl]piperidin-1-yl}ethan-1-one
2-(3-chlorophenyl)-1-{3-(dimethylamino)-3-[1-(3-methylbutyl)-1H-tetrazol-5-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
Compound ID: | SA20-0670 |
Compound Name: | 2-(3-chlorophenyl)-1-{3-(dimethylamino)-3-[1-(3-methylbutyl)-1H-tetrazol-5-yl]piperidin-1-yl}ethan-1-one |
Molecular Weight: | 418.97 |
Molecular Formula: | C21 H31 Cl N6 O |
Smiles: | CC(C)CCn1c(C2(CCCN(C2)C(Cc2cccc(c2)[Cl])=O)N(C)C)nnn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5588 |
logD: | 3.5504 |
logSw: | -3.7449 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 57.904 |
InChI Key: | YWDDZBFQALWKFY-NRFANRHFSA-N |