N-(3-methylpent-1-yn-3-yl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(3-methylpent-1-yn-3-yl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-(3-methylpent-1-yn-3-yl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8013-2418 |
| Compound Name: | N-(3-methylpent-1-yn-3-yl)-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C16 H14 N2 O5 |
| Smiles: | CCC(C)(C#C)NC(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4662 |
| logD: | 2.4662 |
| logSw: | -3.0749 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.985 |
| InChI Key: | OYPFFIYEIIQZGT-MRXNPFEDSA-N |