5-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7H-furo[3,2-g][1]benzopyran-7-one
Chemical Structure Depiction of
5-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7H-furo[3,2-g][1]benzopyran-7-one
5-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7H-furo[3,2-g][1]benzopyran-7-one
Compound characteristics
| Compound ID: | Y040-6299 |
| Compound Name: | 5-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7H-furo[3,2-g][1]benzopyran-7-one |
| Molecular Weight: | 390.43 |
| Molecular Formula: | C24 H22 O5 |
| Smiles: | CCCCC1=CC(=O)Oc2cc3c(cc12)c(co3)c1ccc2c(c1)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.9965 |
| logD: | 4.9965 |
| logSw: | -4.8343 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.088 |
| InChI Key: | WXOODKJAVHYLHZ-UHFFFAOYSA-N |