6-benzyl-4-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-benzyl-4-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
6-benzyl-4-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V016-6631 |
| Compound Name: | 6-benzyl-4-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 617.57 |
| Molecular Formula: | C30 H29 Br N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccccc2)n1)N1CCCN(CC1)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3672 |
| logD: | 6.2655 |
| logSw: | -5.9515 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.544 |
| InChI Key: | GTXDHDWUEAOMJV-UHFFFAOYSA-N |