N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V024-8244 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 645.78 |
| Molecular Formula: | C37 H35 N5 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1cc(c2ccccc2)nc(n1)SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4321 |
| logD: | 7.4318 |
| logSw: | -5.7241 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.237 |
| InChI Key: | WZONWIZUOSRYGE-UHFFFAOYSA-N |