2-amino-4-(2-bromo-4,5-dimethoxyphenyl)-4H-naphtho[1,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2-bromo-4,5-dimethoxyphenyl)-4H-naphtho[1,2-b]pyran-3-carbonitrile
2-amino-4-(2-bromo-4,5-dimethoxyphenyl)-4H-naphtho[1,2-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5857-0139 |
| Compound Name: | 2-amino-4-(2-bromo-4,5-dimethoxyphenyl)-4H-naphtho[1,2-b]pyran-3-carbonitrile |
| Molecular Weight: | 437.29 |
| Molecular Formula: | C22 H17 Br N2 O3 |
| Smiles: | COc1cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc23)c(cc1OC)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2166 |
| logD: | 4.2166 |
| logSw: | -4.6995 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.967 |
| InChI Key: | XKOKCNSMGUYPHK-FQEVSTJZSA-N |