1-(4-{3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
1-(4-{3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V026-5674 |
| Compound Name: | 1-(4-{3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 519.67 |
| Molecular Formula: | C28 H33 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1cccc(CSc2nc(COC)cc(n2)N(C)Cc2ccccc2)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5377 |
| logD: | 3.5139 |
| logSw: | -3.7373 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.441 |
| InChI Key: | AQSOCTUDANFDSU-UHFFFAOYSA-N |