2,4-diamino-10-anilino-8,8-dimethyl-5-(3-nitrophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
Chemical Structure Depiction of
2,4-diamino-10-anilino-8,8-dimethyl-5-(3-nitrophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
2,4-diamino-10-anilino-8,8-dimethyl-5-(3-nitrophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-7547 |
| Compound Name: | 2,4-diamino-10-anilino-8,8-dimethyl-5-(3-nitrophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C27 H25 N7 O3 |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)[N+]([O-])=O)c3c(c(C#N)c(N)nc3N2Nc2ccccc2)N)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9084 |
| logD: | 3.9073 |
| logSw: | -4.4582 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 127.506 |
| InChI Key: | XSKHKOZTLYEFFA-OAQYLSRUSA-N |