8-amino-5-(4-hydroxyphenyl)-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-hydroxyphenyl)-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-hydroxyphenyl)-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: | 8018-0175 |
| Compound Name: | 8-amino-5-(4-hydroxyphenyl)-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: | 469.56 |
| Molecular Formula: | C26 H23 N5 O2 S |
| Smiles: | C1CC2=C(C(C(C#N)=C3N=C(c4c5C6CCN(CC6)c5sc4N23)N)c2ccc(cc2)O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5807 |
| logD: | -5.4619 |
| logSw: | -2.6564 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.894 |
| InChI Key: | LTQGQHXFSDZJHJ-IBGZPJMESA-N |