3-({[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | V027-8582 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C22 H29 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)c1cc(C)nc(n1)SCc1cccc(c1)C(NCCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4617 |
| logD: | 2.4614 |
| logSw: | -2.7114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.047 |
| InChI Key: | WZWRIEVWRLALNB-UHFFFAOYSA-N |