N-(3-chlorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]butanamide
N-(3-chlorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]butanamide
Compound characteristics
Compound ID: | J095-0068 |
Compound Name: | N-(3-chlorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]butanamide |
Molecular Weight: | 377.85 |
Molecular Formula: | C16 H16 Cl N5 O2 S |
Smiles: | CCC(C(Nc1cccc(c1)[Cl])=O)Sc1nc2C(NC=Nc2n1C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6561 |
logD: | 2.6555 |
logSw: | -3.5547 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.875 |
InChI Key: | OWTCPXDZVGMLHK-NSHDSACASA-N |