3-({[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
Compound characteristics
| Compound ID: | V027-8594 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C21 H27 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCNC(c1cccc(CSc2nc(C)cc(n2)N2CCN(CC2)C(C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6082 |
| logD: | 2.6079 |
| logSw: | -2.7562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.489 |
| InChI Key: | GYSKKOIJOGDGQZ-UHFFFAOYSA-N |