4-({[4-(4-ethylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[4-(4-ethylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide
4-({[4-(4-ethylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V025-3219 |
| Compound Name: | 4-({[4-(4-ethylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide |
| Molecular Weight: | 490.67 |
| Molecular Formula: | C27 H34 N6 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1cc(C(C)C)nc(n1)SCc1ccc(cc1)C(NCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0307 |
| logD: | 3.3432 |
| logSw: | -3.6814 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.644 |
| InChI Key: | YEQRONQHPPXCBQ-UHFFFAOYSA-N |