1-{4-[6-tert-butyl-2-({[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[6-tert-butyl-2-({[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
1-{4-[6-tert-butyl-2-({[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V003-4582 |
| Compound Name: | 1-{4-[6-tert-butyl-2-({[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 510.7 |
| Molecular Formula: | C27 H38 N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)c1cc(C(C)(C)C)nc(n1)SCc1cccc(c1)C(N1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5376 |
| logD: | 3.4069 |
| logSw: | -3.7024 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.497 |
| InChI Key: | ZWSRXOPRNZMDQG-UHFFFAOYSA-N |