N-benzyl-3-({[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-benzyl-3-({[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)benzamide
N-benzyl-3-({[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V001-5743 |
| Compound Name: | N-benzyl-3-({[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 475.66 |
| Molecular Formula: | C27 H33 N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(C)c(C)nc(n1)SCc1cccc(c1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7364 |
| logD: | 3.411 |
| logSw: | -4.4428 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.173 |
| InChI Key: | CTTIGLAPTIEHFP-UHFFFAOYSA-N |