2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
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-[(furan-2-yl)methyl]butanamide
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K898-0366 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide |
| Molecular Weight: | 501.4 |
| Molecular Formula: | C21 H21 Br N6 O2 S |
| Smiles: | CCC(C(NCc1ccco1)=O)SC1=Nc2c(C(=N)N1c1ccc(cc1)[Br])c(C)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8563 |
| logD: | -0.7132 |
| logSw: | -4.1728 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.202 |
| InChI Key: | HWWJLRXIRWWTJL-INIZCTEOSA-N |