4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
Chemical Structure Depiction of
4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
Compound characteristics
| Compound ID: | V028-0629 |
| Compound Name: | 4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide |
| Molecular Weight: | 441.64 |
| Molecular Formula: | C24 H35 N5 O S |
| Salt: | not_available |
| Smiles: | CCNC(c1ccc(CSc2nc(cc(n2)N2CCN(CC)CC2)C(C)(C)C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2563 |
| logD: | 3.5689 |
| logSw: | -4.0293 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.023 |
| InChI Key: | URFJHBOCMYHULH-UHFFFAOYSA-N |