4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]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-[2-(pyridin-2-yl)ethyl]benzamide
4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V025-7579 |
| Compound Name: | 4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]benzamide |
| Molecular Weight: | 624.81 |
| Molecular Formula: | C35 H40 N6 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(NCCc1ccccn1)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.6673 |
| logD: | 4.9441 |
| logSw: | -5.4563 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.63 |
| InChI Key: | GOJAICROWXGNGX-UHFFFAOYSA-N |