4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
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-[(oxolan-2-yl)methyl]benzamide
4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V024-9053 |
| Compound Name: | 4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 603.78 |
| Molecular Formula: | C33 H41 N5 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(NCC1CCCO1)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1924 |
| logD: | 4.4691 |
| logSw: | -5.0081 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.9 |
| InChI Key: | LSKRTCBDNFLZLU-AREMUKBSSA-N |