methyl 3-({[7-(pent-4-ynoyl)-8-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl]amino}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[7-(pent-4-ynoyl)-8-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl]amino}methyl)benzoate
methyl 3-({[7-(pent-4-ynoyl)-8-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl]amino}methyl)benzoate
Compound characteristics
| Compound ID: | T003-0021 |
| Compound Name: | methyl 3-({[7-(pent-4-ynoyl)-8-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl]amino}methyl)benzoate |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C27 H26 N4 O4 |
| Smiles: | COC(c1cccc(CNC(c2cn3CCN(C(c4ccccc4)c3n2)C(CCC#C)=O)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1982 |
| logD: | 3.1982 |
| logSw: | -3.3141 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.164 |
| InChI Key: | RCEMKALGWINSIG-XMMPIXPASA-N |