rel-(3aR,6aS)-1-[(4-chlorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-[(4-chlorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-[(4-chlorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
Compound ID: | C200-4438 |
Compound Name: | rel-(3aR,6aS)-1-[(4-chlorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
Molecular Weight: | 422.95 |
Molecular Formula: | C19 H19 Cl N2 O3 S2 |
Smiles: | CSc1cccc(c1)N1C(N(Cc2ccc(cc2)[Cl])[C@H]2CS(C[C@@H]12)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.8952 |
logD: | 2.8952 |
logSw: | -3.4582 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 46.573 |
InChI Key: | GFAXYIHLQCKGSR-UHFFFAOYSA-N |