2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-2644 |
| Compound Name: | 2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-fluorophenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C28 H23 F N6 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(N1C3CCCC(C=3C(c3ccc(cc3)F)c3c(c(C#N)c(N)nc13)N)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5324 |
| logD: | 4.5323 |
| logSw: | -4.7807 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.336 |
| InChI Key: | XFCPYQLRUPPEJN-QFIPXVFZSA-N |