3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-ethyl-N-methylbenzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-ethyl-N-methylbenzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-ethyl-N-methylbenzamide
Compound characteristics
| Compound ID: | V019-4450 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-ethyl-N-methylbenzamide |
| Molecular Weight: | 469.65 |
| Molecular Formula: | C25 H35 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCN(C)C(c1cccc(CSc2nc(cc(n2)N2CCN(CC2)C(C)=O)C(C)(C)C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1606 |
| logD: | 4.16 |
| logSw: | -4.1494 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.518 |
| InChI Key: | DDBSALJYVJGRRP-UHFFFAOYSA-N |