N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]butanamide
N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | F569-0457 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]butanamide |
| Molecular Weight: | 542.1 |
| Molecular Formula: | C30 H28 Cl N5 O S |
| Smiles: | CCC(C(Nc1cccc(c1C)[Cl])=O)Sc1c2c(CC)nn(c3ccccc3)c2nc(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.6123 |
| logD: | 8.6117 |
| logSw: | -6.5389 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.532 |
| InChI Key: | LFIDNPXSRSXSNF-VWLOTQADSA-N |