N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]butanamide
N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | J095-0080 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]butanamide |
| Molecular Weight: | 407.88 |
| Molecular Formula: | C17 H18 Cl N5 O3 S |
| Smiles: | CCC(C(Nc1ccc(c(c1)[Cl])OC)=O)Sc1nc2C(NC=Nc2n1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4131 |
| logD: | 2.4124 |
| logSw: | -3.3687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.505 |
| InChI Key: | FEHHMSNGWJVOJR-LBPRGKRZSA-N |