ethyl 1-(4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-4-carboxylate
ethyl 1-(4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V003-3800 |
| Compound Name: | ethyl 1-(4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-4-carboxylate |
| Molecular Weight: | 659.85 |
| Molecular Formula: | C36 H45 N5 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)Cc2ccc3c(c2)OCO3)C(C)(C)C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9695 |
| logD: | 5.2463 |
| logSw: | -5.4311 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.234 |
| InChI Key: | PNOXCDQBEORHPZ-UHFFFAOYSA-N |