2-benzyl-6-tert-butyl-8-hydroxy[1]benzopyrano[2,3-c]pyrazol-3(2H)-one
Chemical Structure Depiction of
2-benzyl-6-tert-butyl-8-hydroxy[1]benzopyrano[2,3-c]pyrazol-3(2H)-one
2-benzyl-6-tert-butyl-8-hydroxy[1]benzopyrano[2,3-c]pyrazol-3(2H)-one
Compound characteristics
| Compound ID: | F808-0586 |
| Compound Name: | 2-benzyl-6-tert-butyl-8-hydroxy[1]benzopyrano[2,3-c]pyrazol-3(2H)-one |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C21 H20 N2 O3 |
| Smiles: | CC(C)(C)c1cc2C=C3C(=NN(Cc4ccccc4)C3=O)Oc2c(c1)O |
| Stereo: | ACHIRAL |
| logP: | 4.3542 |
| logD: | 4.3525 |
| logSw: | -4.1992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.237 |
| InChI Key: | GRMNKNWFJUIAOI-UHFFFAOYSA-N |