8-amino-5-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-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: | 8017-9109 |
| Compound Name: | 8-amino-5-(2,3-dimethoxyphenyl)-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: | 513.62 |
| Molecular Formula: | C28 H27 N5 O3 S |
| Smiles: | COc1cccc(C2C(C#N)=C3N=C(c4c5C6CCN(CC6)c5sc4N3C3CCCC(C2=3)=O)N)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2359 |
| logD: | -4.6829 |
| logSw: | -3.5654 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.624 |
| InChI Key: | YBXQIVZBFVTBSN-NRFANRHFSA-N |