2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K898-1185 |
| Compound Name: | 2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 428.9 |
| Molecular Formula: | C19 H17 Cl N6 O2 S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(NCc1ccco1)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8151 |
| logD: | -1.1763 |
| logSw: | -3.9064 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.989 |
| InChI Key: | KSWQRZVNXZPOEF-UHFFFAOYSA-N |