1-{4-[5-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[5-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
1-{4-[5-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V017-5115 |
| Compound Name: | 1-{4-[5-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 514.69 |
| Molecular Formula: | C26 H38 N6 O3 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1cc(C(C)(C)C)nc(n1)SCc1ccc(C(N2CCN(CC2)C(C)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.9402 |
| logD: | 3.2527 |
| logSw: | -3.7419 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.398 |
| InChI Key: | KKPICPIMKZQYAD-UHFFFAOYSA-N |