4,8-dioxo-5-(3,4,5-trimethoxyphenyl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Chemical Structure Depiction of
4,8-dioxo-5-(3,4,5-trimethoxyphenyl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
4,8-dioxo-5-(3,4,5-trimethoxyphenyl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 8009-6303 |
| Compound Name: | 4,8-dioxo-5-(3,4,5-trimethoxyphenyl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C28 H27 N3 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1C(C#N)=C2NC(c3c4CCCCc4sc3N2C2CCCC(C1=2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8702 |
| logD: | 3.87 |
| logSw: | -4.3752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.588 |
| InChI Key: | MSVYJOBFUZEQMQ-QFIPXVFZSA-N |