2,7-diamino-4-(3-methoxyphenyl)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2,7-diamino-4-(3-methoxyphenyl)-4H-1-benzopyran-3-carbonitrile
2,7-diamino-4-(3-methoxyphenyl)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-1534 |
| Compound Name: | 2,7-diamino-4-(3-methoxyphenyl)-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 293.32 |
| Molecular Formula: | C17 H15 N3 O2 |
| Smiles: | COc1cccc(c1)C1C(C#N)=C(N)Oc2cc(ccc12)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8365 |
| logD: | 1.8363 |
| logSw: | -2.1668 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 74.644 |
| InChI Key: | IRKNJDSAWPLYSG-MRXNPFEDSA-N |