6,8-dibromo-N-(3-methylpent-1-yn-3-yl)-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6,8-dibromo-N-(3-methylpent-1-yn-3-yl)-2-oxo-2H-1-benzopyran-3-carboxamide
6,8-dibromo-N-(3-methylpent-1-yn-3-yl)-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8013-3921 |
| Compound Name: | 6,8-dibromo-N-(3-methylpent-1-yn-3-yl)-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 427.09 |
| Molecular Formula: | C16 H13 Br2 N O3 |
| Smiles: | CCC(C)(C#C)NC(C1=Cc2cc(cc(c2OC1=O)[Br])[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2327 |
| logD: | 4.2327 |
| logSw: | -4.3455 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.287 |
| InChI Key: | LFMCBPHWKPJWDD-MRXNPFEDSA-N |