7-(diethylamino)-2-imino-N-(3-nitrophenyl)-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
7-(diethylamino)-2-imino-N-(3-nitrophenyl)-2H-1-benzopyran-3-carboxamide
7-(diethylamino)-2-imino-N-(3-nitrophenyl)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y205-6774 |
| Compound Name: | 7-(diethylamino)-2-imino-N-(3-nitrophenyl)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C20 H20 N4 O4 |
| Smiles: | CCN(CC)c1ccc2C=C(C(=N)Oc2c1)C(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7813 |
| logD: | 3.6838 |
| logSw: | -4.0957 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.685 |
| InChI Key: | VFAHJLQHBGPBTG-UHFFFAOYSA-N |