2,7-diamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2,7-diamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile
2,7-diamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-0260 |
| Compound Name: | 2,7-diamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 402.25 |
| Molecular Formula: | C18 H16 Br N3 O3 |
| Smiles: | COc1cc(cc(c1OC)[Br])C1C(C#N)=C(N)Oc2cc(ccc12)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4222 |
| logD: | 2.422 |
| logSw: | -2.9841 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 82.447 |
| InChI Key: | NAGAMFAAQBJQOY-INIZCTEOSA-N |