2-{[5-(5-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[5-(5-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-{[5-(5-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K898-0097 |
| Compound Name: | 2-{[5-(5-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 546.07 |
| Molecular Formula: | C23 H24 Cl N7 O3 S2 |
| Smiles: | Cc1ccc(cc1N1C(c2c(C)n[nH]c2N=C1SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=N)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.7202 |
| logD: | -2.3443 |
| logSw: | -3.1722 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 127.384 |
| InChI Key: | RGWVXETWPATVJO-UHFFFAOYSA-N |