{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Chemical Structure Depiction of
{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | Z301-0577 |
| Compound Name: | {4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone |
| Molecular Weight: | 445.59 |
| Molecular Formula: | C25 H27 N5 O S |
| Smiles: | Cc1ccc(cc1)C(N1CCCN(CC1)c1nc2c(c(C)nn2c2cccc(C)c2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0779 |
| logD: | 5.0779 |
| logSw: | -4.7709 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.078 |
| InChI Key: | BMGAVJQBOZELFL-UHFFFAOYSA-N |