2-{3-nitro-4-[(2-oxoazepan-3-yl)amino]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-nitro-4-[(2-oxoazepan-3-yl)amino]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{3-nitro-4-[(2-oxoazepan-3-yl)amino]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0390 |
| Compound Name: | 2-{3-nitro-4-[(2-oxoazepan-3-yl)amino]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C20 H22 N4 O5 |
| Smiles: | C1CCNC(C(C1)Nc1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9132 |
| logD: | 1.9132 |
| logSw: | -2.6572 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.216 |
| InChI Key: | IOTMGZZTTHYMHR-UHFFFAOYSA-N |