3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]benzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]benzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-0428 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]benzamide |
| Molecular Weight: | 533.65 |
| Molecular Formula: | C28 H31 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(NCc1ccc2c(c1)OCO2)=O)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4797 |
| logD: | 4.4793 |
| logSw: | -4.3164 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.396 |
| InChI Key: | WIZIQXVUFJMLIV-UHFFFAOYSA-N |