N-(4-bromophenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-1282 |
| Compound Name: | N-(4-bromophenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 499.39 |
| Molecular Formula: | C21 H19 Br N6 O2 S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(Nc1ccc(cc1)[Br])=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5599 |
| logD: | -0.7087 |
| logSw: | -4.0553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.462 |
| InChI Key: | WZJBEZUYNTUNHF-UHFFFAOYSA-N |