4-(3,4-dioxo-2-{[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}cyclobut-1-en-1-yl)piperazine-1-carbaldehyde
Chemical Structure Depiction of
4-(3,4-dioxo-2-{[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}cyclobut-1-en-1-yl)piperazine-1-carbaldehyde
4-(3,4-dioxo-2-{[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}cyclobut-1-en-1-yl)piperazine-1-carbaldehyde
Compound characteristics
| Compound ID: | IB05-8958 |
| Compound Name: | 4-(3,4-dioxo-2-{[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]amino}cyclobut-1-en-1-yl)piperazine-1-carbaldehyde |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C17 H23 N5 O3 |
| Smiles: | Cc1c(CCNC2=C(C(C2=O)=O)N2CCN(CC2)C=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.86 |
| logD: | -0.86 |
| logSw: | -0.6 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.53 |
| InChI Key: | SKWZUNXWQLYQGA-UHFFFAOYSA-N |