2-[(5-bromo-2-methylanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(5-bromo-2-methylanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[(5-bromo-2-methylanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0627-0289 |
| Compound Name: | 2-[(5-bromo-2-methylanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 390.19 |
| Molecular Formula: | C16 H12 Br N3 O4 |
| Smiles: | Cc1ccc(cc1NCN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6587 |
| logD: | 3.6587 |
| logSw: | -3.8918 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.335 |
| InChI Key: | ICNPUKPICSQNGE-UHFFFAOYSA-N |