2-amino-4-(4-methoxy-3-nitrophenyl)-4H-[1]benzothieno[3,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-methoxy-3-nitrophenyl)-4H-[1]benzothieno[3,2-b]pyran-3-carbonitrile
2-amino-4-(4-methoxy-3-nitrophenyl)-4H-[1]benzothieno[3,2-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 2729-0899 |
| Compound Name: | 2-amino-4-(4-methoxy-3-nitrophenyl)-4H-[1]benzothieno[3,2-b]pyran-3-carbonitrile |
| Molecular Weight: | 379.39 |
| Molecular Formula: | C19 H13 N3 O4 S |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C1C(C#N)=C(N)Oc2c3ccccc3sc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.465 |
| logD: | 3.465 |
| logSw: | -4.1732 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.436 |
| InChI Key: | VMCWWXGRHFUEDP-INIZCTEOSA-N |