N-benzyl-3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-benzyl-3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
N-benzyl-3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V003-5290 |
| Compound Name: | N-benzyl-3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 581.78 |
| Molecular Formula: | C34 H39 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1cccc(c1)C(NCc1ccccc1)=O)N1CCN(CC1)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 7.4854 |
| logD: | 7.4847 |
| logSw: | -5.6949 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.394 |
| InChI Key: | KLBURONYNSCKII-UHFFFAOYSA-N |