6-amino-8-{3-bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
Chemical Structure Depiction of
6-amino-8-{3-bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
6-amino-8-{3-bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
Compound characteristics
| Compound ID: | 5948-4222 |
| Compound Name: | 6-amino-8-{3-bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile |
| Molecular Weight: | 471.31 |
| Molecular Formula: | C22 H19 Br N2 O5 |
| Smiles: | CCOc1cc(cc(c1OCC=C)[Br])C1C(C#N)=C(N)Oc2cc3c(cc12)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0464 |
| logD: | 4.0464 |
| logSw: | -4.3009 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.211 |
| InChI Key: | QQUFONGBWCVQLN-FQEVSTJZSA-N |