4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-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-(morpholin-4-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-(morpholin-4-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V003-3788 |
| Compound Name: | 4-{[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-tert-butylpyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide |
| Molecular Weight: | 632.83 |
| Molecular Formula: | C34 H44 N6 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(cc1)C(NCCN1CCOCC1)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.7141 |
| logD: | 3.9908 |
| logSw: | -4.3823 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.978 |
| InChI Key: | FVYCGORAORYENA-UHFFFAOYSA-N |