ethyl 6-methyl-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-methyl-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-methyl-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: | 8018-2336 |
| Compound Name: | ethyl 6-methyl-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: | 471.64 |
| Molecular Formula: | C24 H29 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(N1C[C@@H]2C[C@@H](C1)CN1C2=CC=CC1=O)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0669 |
| logD: | 4.8251 |
| logSw: | -4.6919 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.304 |
| InChI Key: | RHFVCISMOVJBJZ-JAIYHHTPSA-N |