3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V018-4858 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide |
| Molecular Weight: | 540.73 |
| Molecular Formula: | C28 H40 N6 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)c1cc(C(C)(C)C)nc(n1)SCc1cccc(c1)C(NCCN1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4607 |
| logD: | 3.4466 |
| logSw: | -3.7219 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.518 |
| InChI Key: | XRMNSFFLLPGILT-UHFFFAOYSA-N |