1-{4-[6-ethyl-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-ethyl-2-({[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
1-{4-[6-ethyl-2-({[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V020-3405 |
| Compound Name: | 1-{4-[6-ethyl-2-({[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 482.65 |
| Molecular Formula: | C25 H34 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(N1CCN(C)CC1)=O)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7157 |
| logD: | 2.585 |
| logSw: | -2.79 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.992 |
| InChI Key: | KEIMTLACVNHAIX-UHFFFAOYSA-N |