1-(4-{3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
1-(4-{3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Compound characteristics
Compound ID: | V003-5257 |
Compound Name: | 1-(4-{3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one |
Molecular Weight: | 602.8 |
Molecular Formula: | C33 H42 N6 O3 S |
Salt: | not_available |
Smiles: | CC(N1CCN(CC1)C(c1cccc(CSc2nc(cc(n2)N2CCN(CC2)c2ccc(cc2)OC)C(C)(C)C)c1)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.4587 |
logD: | 5.4581 |
logSw: | -5.5061 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 64.824 |
InChI Key: | SFTPXAUYQGCSID-UHFFFAOYSA-N |