1-{4-[3-({[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[3-({[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
1-{4-[3-({[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V013-8220 |
| Compound Name: | 1-{4-[3-({[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 496.67 |
| Molecular Formula: | C26 H36 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(N1CCN(CC1)C(C)=O)=O)N1CCN(CC)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.0605 |
| logD: | 2.373 |
| logSw: | -3.0943 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.052 |
| InChI Key: | KYPHBUZMYZGSII-UHFFFAOYSA-N |