8-amino-4-oxo-5-(3,4,5-trimethoxyphenyl)-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-4-oxo-5-(3,4,5-trimethoxyphenyl)-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-4-oxo-5-(3,4,5-trimethoxyphenyl)-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: | 8017-9196 |
| Compound Name: | 8-amino-4-oxo-5-(3,4,5-trimethoxyphenyl)-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: | 543.64 |
| Molecular Formula: | C29 H29 N5 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1C(C#N)=C2N=C(c3c4C5CCN(CC5)c4sc3N2C2CCCC(C1=2)=O)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9995 |
| logD: | -5.0432 |
| logSw: | -3.2222 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.255 |
| InChI Key: | LJZIGPMIWWWZJM-NRFANRHFSA-N |