2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-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-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-3253 |
| Compound Name: | 2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile |
| Molecular Weight: | 537.6 |
| Molecular Formula: | C28 H23 N7 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(N1C3CCCC(C=3C(c3cccc(c3)[N+]([O-])=O)c3c(c(C#N)c(N)nc13)N)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3679 |
| logD: | 4.3679 |
| logSw: | -4.7167 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 132.718 |
| InChI Key: | YTPXIYYQEZRIGS-QFIPXVFZSA-N |