1-(4-{4-[({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-{4-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
1-(4-{4-[({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: | V026-5663 |
| Compound Name: | 1-(4-{4-[({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(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)c2ccc(cc2)OC)C(C)(C)C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2508 |
| logD: | 5.2502 |
| logSw: | -5.1146 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.824 |
| InChI Key: | HDVPCRJPTCIQBT-UHFFFAOYSA-N |