8-amino-5-[4-(methylsulfanyl)phenyl]-4-oxo-1,3,4,5,10,11-hexahydro-2H,9H-9,12-ethanopyrido[3'',2'':4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Chemical Structure Depiction of
8-amino-5-[4-(methylsulfanyl)phenyl]-4-oxo-1,3,4,5,10,11-hexahydro-2H,9H-9,12-ethanopyrido[3'',2'':4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
8-amino-5-[4-(methylsulfanyl)phenyl]-4-oxo-1,3,4,5,10,11-hexahydro-2H,9H-9,12-ethanopyrido[3'',2'':4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 8017-9160 |
| Compound Name: | 8-amino-5-[4-(methylsulfanyl)phenyl]-4-oxo-1,3,4,5,10,11-hexahydro-2H,9H-9,12-ethanopyrido[3'',2'':4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile |
| Molecular Weight: | 499.66 |
| Molecular Formula: | C27 H25 N5 O S2 |
| Smiles: | CSc1ccc(cc1)C1C(C#N)=C2N=C(c3c4C5CCN(CC5)c4sc3N2C2CCCC(C1=2)=O)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9198 |
| logD: | -4.1229 |
| logSw: | -4.3113 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.277 |
| InChI Key: | RKBUETWUJNJKKT-FQEVSTJZSA-N |