N,N-diethylethanaminium--3-{[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]carbamoyl}-1,2,2-trimethylcyclopentane-1-carboxylate (1/1)
Chemical Structure Depiction of
N,N-diethylethanaminium--3-{[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]carbamoyl}-1,2,2-trimethylcyclopentane-1-carboxylate (1/1)
N,N-diethylethanaminium--3-{[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]carbamoyl}-1,2,2-trimethylcyclopentane-1-carboxylate (1/1)
Compound characteristics
| Compound ID: | Y502-4674 |
| Compound Name: | N,N-diethylethanaminium--3-{[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]carbamoyl}-1,2,2-trimethylcyclopentane-1-carboxylate (1/1) |
| Molecular Weight: | 436.64 |
| Molecular Formula: | C18 H28 N3 O3 |
| Salt: | (C2H5)3NH+ |
| Smiles: | CCn1cc(C(C)NC(C2CCC(C)(C([O-])=O)C2(C)C)=O)c(C)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6096 |
| logD: | 1.6096 |
| logSw: | -1.6312 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.636 |
| InChI Key: | IOBGBKQWTLEPRL-UHFFFAOYSA-M |