3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde
Chemical Structure Depiction of
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde
Compound characteristics
| Compound ID: | 8020-8269 |
| Compound Name: | 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde |
| Molecular Weight: | 244.25 |
| Molecular Formula: | C13 H12 N2 O3 |
| Smiles: | C1COc2ccc(cc2OC1)c1c(C=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3658 |
| logD: | 1.3657 |
| logSw: | -1.8639 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.742 |
| InChI Key: | YPTBUFWKRCIYGE-UHFFFAOYSA-N |