ethyl 6-ethyl-2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8018-2334 |
| Compound Name: | ethyl 6-ethyl-2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 485.67 |
| Molecular Formula: | C25 H31 N3 O3 S2 |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(N3C[C@@H]4C[C@@H](C3)CN3C4=CC=CC3=O)=S)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6124 |
| logD: | 5.3705 |
| logSw: | -5.4946 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.304 |
| InChI Key: | OTJWXIZZFDLVTQ-FGJGXXMFSA-N |