N-butyl-2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-butyl-2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-butyl-2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-1487 |
| Compound Name: | N-butyl-2-{[5-(2-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 404.92 |
| Molecular Formula: | C18 H21 Cl N6 O S |
| Smiles: | CCCCNC(CSC1=Nc2c(C(=N)N1c1ccccc1[Cl])c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5671 |
| logD: | -1.42 |
| logSw: | -3.3966 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.052 |
| InChI Key: | HJIUYBXZPHUVFR-UHFFFAOYSA-N |