1-(4-{4-[({4-[cyclohexyl(methyl)amino]-6-ethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[({4-[cyclohexyl(methyl)amino]-6-ethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
1-(4-{4-[({4-[cyclohexyl(methyl)amino]-6-ethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V026-1905 |
| Compound Name: | 1-(4-{4-[({4-[cyclohexyl(methyl)amino]-6-ethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 495.69 |
| Molecular Formula: | C27 H37 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(N1CCN(CC1)C(C)=O)=O)N(C)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.1159 |
| logD: | 4.1155 |
| logSw: | -4.0732 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.069 |
| InChI Key: | FFISJNBAPXQQLB-UHFFFAOYSA-N |