5-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)-1H-isoindole-1,3(2H)-dione
5-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4334-1581 |
| Compound Name: | 5-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 396.83 |
| Molecular Formula: | C21 H17 Cl N2 O4 |
| Smiles: | CC(C)CCN1C(c2ccc(cc2C1=O)C1=Nc2cc(ccc2C(=O)O1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3938 |
| logD: | 4.3938 |
| logSw: | -4.596 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.688 |
| InChI Key: | AMSMZNGNWIMVIE-UHFFFAOYSA-N |