4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-benzyl-N-methylbenzamide
Chemical Structure Depiction of
4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-benzyl-N-methylbenzamide
4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-benzyl-N-methylbenzamide
Compound characteristics
| Compound ID: | V003-3812 |
| Compound Name: | 4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-benzyl-N-methylbenzamide |
| Molecular Weight: | 623.82 |
| Molecular Formula: | C36 H41 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(N(C)Cc1ccccc1)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.865 |
| logD: | 6.1418 |
| logSw: | -5.6385 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.982 |
| InChI Key: | WSOLTVRNLJXSIA-UHFFFAOYSA-N |