3-({[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
3-({[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
3-({[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V024-8833 |
| Compound Name: | 3-({[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 475.66 |
| Molecular Formula: | C27 H33 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1cccc(CSc2nc(cc(n2)N2CCN(C)CC2)c2ccccc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4751 |
| logD: | 4.9051 |
| logSw: | -5.3716 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.066 |
| InChI Key: | FRRSNGAENOEFGD-UHFFFAOYSA-N |