5-nitro-2-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-nitro-2-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
5-nitro-2-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3226-1534 |
| Compound Name: | 5-nitro-2-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 365.3 |
| Molecular Formula: | C18 H11 N3 O6 |
| Smiles: | C(CN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)C1=Nc2ccccc2C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.1164 |
| logD: | 2.1164 |
| logSw: | -3.1514 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.216 |
| InChI Key: | HCYVGEANZAATCB-UHFFFAOYSA-N |