3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-ethyl-N-methylbenzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-ethyl-N-methylbenzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-ethyl-N-methylbenzamide
Compound characteristics
| Compound ID: | V027-7564 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-ethyl-N-methylbenzamide |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C23 H31 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(N(C)CC)=O)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3388 |
| logD: | 3.3384 |
| logSw: | -3.46 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.014 |
| InChI Key: | JYAPWCBXBZPNPR-UHFFFAOYSA-N |