6-amino-8-(3-bromo-4-methoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
Chemical Structure Depiction of
6-amino-8-(3-bromo-4-methoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
6-amino-8-(3-bromo-4-methoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile
Compound characteristics
| Compound ID: | 5948-4211 |
| Compound Name: | 6-amino-8-(3-bromo-4-methoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-carbonitrile |
| Molecular Weight: | 401.21 |
| Molecular Formula: | C18 H13 Br N2 O4 |
| Smiles: | COc1ccc(cc1[Br])C1C(C#N)=C(N)Oc2cc3c(cc12)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9756 |
| logD: | 2.9756 |
| logSw: | -3.2877 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.04 |
| InChI Key: | HRHQQVQWXJZWRJ-KRWDZBQOSA-N |