4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide
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-ethylbenzamide
4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide
Compound characteristics
| Compound ID: | V015-9927 |
| Compound Name: | 4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide |
| Molecular Weight: | 547.72 |
| Molecular Formula: | C30 H37 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCNC(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)Cc2ccc3c(c2)OCO3)C(C)(C)C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2811 |
| logD: | 4.5578 |
| logSw: | -5.2063 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.143 |
| InChI Key: | CEORULMCBWJZQD-UHFFFAOYSA-N |