6-tert-butyl-2-(3-fluorophenyl)-8-hydroxy[1]benzopyrano[2,3-c]pyrazol-3(2H)-one
Chemical Structure Depiction of
6-tert-butyl-2-(3-fluorophenyl)-8-hydroxy[1]benzopyrano[2,3-c]pyrazol-3(2H)-one
6-tert-butyl-2-(3-fluorophenyl)-8-hydroxy[1]benzopyrano[2,3-c]pyrazol-3(2H)-one
Compound characteristics
| Compound ID: | F808-0582 |
| Compound Name: | 6-tert-butyl-2-(3-fluorophenyl)-8-hydroxy[1]benzopyrano[2,3-c]pyrazol-3(2H)-one |
| Molecular Weight: | 352.36 |
| Molecular Formula: | C20 H17 F N2 O3 |
| Smiles: | CC(C)(C)c1cc2C=C3C(=NN(C3=O)c3cccc(c3)F)Oc2c(c1)O |
| Stereo: | ACHIRAL |
| logP: | 4.3318 |
| logD: | 4.3301 |
| logSw: | -4.2579 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.818 |
| InChI Key: | DGVMRXUKXLSKCB-UHFFFAOYSA-N |