N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | C378-0374 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C25 H19 N O5 |
| Smiles: | Cc1ccc(cc1)C1=C(C(NCc2ccc3c(c2)OCO3)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2861 |
| logD: | 4.2861 |
| logSw: | -4.4544 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.497 |
| InChI Key: | MTTMJBXRLZMGTR-UHFFFAOYSA-N |