2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8,8-dimethyl-6-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
Chemical Structure Depiction of
2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8,8-dimethyl-6-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8,8-dimethyl-6-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-7789 |
| Compound Name: | 2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8,8-dimethyl-6-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile |
| Molecular Weight: | 610.74 |
| Molecular Formula: | C33 H34 N6 O4 S |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(c(c3)OC)OC)OC)c3c(c(C#N)c(N)nc3N2c2c(C#N)c3CCCCc3s2)N)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9273 |
| logD: | 4.9272 |
| logSw: | -4.8762 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 122.314 |
| InChI Key: | YJDAYYXBEZYZRQ-VWLOTQADSA-N |