N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V026-8729 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C27 H31 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3636 |
| logD: | 3.7936 |
| logSw: | -4.2189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.677 |
| InChI Key: | HVBFMQPUYPQBPR-UHFFFAOYSA-N |