2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | K898-0340 |
Compound Name: | 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
Molecular Weight: | 477.38 |
Molecular Formula: | C19 H21 Br N6 O2 S |
Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(NCC1CCCO1)=O)c1ccc(cc1)[Br] |
Stereo: | RACEMIC MIXTURE |
logP: | 1.7143 |
logD: | -2.5543 |
logSw: | -2.3599 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 85.894 |
InChI Key: | KDNVUBBYOFWTBR-CQSZACIVSA-N |