N-methylmethanaminium--(2Z,4Z)-1,5-dicyano-3-(1-cyano-3-methoxy-3-oxopropyl)-1,5-bis(methoxycarbonyl)penta-2,4-dien-1-ide (1/1)
Chemical Structure Depiction of
N-methylmethanaminium--(2Z,4Z)-1,5-dicyano-3-(1-cyano-3-methoxy-3-oxopropyl)-1,5-bis(methoxycarbonyl)penta-2,4-dien-1-ide (1/1)
N-methylmethanaminium--(2Z,4Z)-1,5-dicyano-3-(1-cyano-3-methoxy-3-oxopropyl)-1,5-bis(methoxycarbonyl)penta-2,4-dien-1-ide (1/1)
Compound characteristics
| Compound ID: | 8001-2841 |
| Compound Name: | N-methylmethanaminium--(2Z,4Z)-1,5-dicyano-3-(1-cyano-3-methoxy-3-oxopropyl)-1,5-bis(methoxycarbonyl)penta-2,4-dien-1-ide (1/1) |
| Molecular Weight: | 390.39 |
| Molecular Formula: | C16 H14 N3 O6 |
| Salt: | (CH3)2NH2+ |
| Smiles: | COC(CC(C#N)C(=C/[C-](C#N)C(=O)OC)/C=C(/C#N)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7546 |
| logD: | 0.7546 |
| logSw: | -0.6548 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 114.605 |
| InChI Key: | ULVFGGDOVCQDSI-KAGLPKTBSA-N |