N-butyl-2-{[5-(4-chloro-3-methylphenyl)-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-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-butyl-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-0486 |
| Compound Name: | N-butyl-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 418.95 |
| Molecular Formula: | C19 H23 Cl N6 O S |
| Smiles: | CCCCNC(CSC1=Nc2c(C(=N)N1c1ccc(c(C)c1)[Cl])c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4541 |
| logD: | -1.4796 |
| logSw: | -4.1518 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.353 |
| InChI Key: | QUACCOVBASVKAM-UHFFFAOYSA-N |