ethyl 6-cyano-6-phenyl-2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-6-phenyl-2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-6-phenyl-2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V002-7208 |
| Compound Name: | ethyl 6-cyano-6-phenyl-2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 488.65 |
| Molecular Formula: | C29 H32 N2 O3 S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(Nc1c(C(=O)OCC)c2CCC(Cc2s1)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7082 |
| logD: | 3.5111 |
| logSw: | -5.8811 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.616 |
| InChI Key: | FNXCNSGCGIJUPI-KUXIJUKQSA-N |