(4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}phenyl)(morpholin-4-yl)methanone
Chemical Structure Depiction of
(4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}phenyl)(morpholin-4-yl)methanone
(4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}phenyl)(morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | V026-5686 |
| Compound Name: | (4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}phenyl)(morpholin-4-yl)methanone |
| Molecular Weight: | 589.76 |
| Molecular Formula: | C32 H39 N5 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(N1CCOCC1)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.8983 |
| logD: | 4.175 |
| logSw: | -4.6713 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.389 |
| InChI Key: | IVJSZBSUGLRKBC-UHFFFAOYSA-N |