{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}(3-methylthiophen-2-yl)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}(3-methylthiophen-2-yl)methanone
{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}(3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | Z301-0614 |
| Compound Name: | {4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}(3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 451.61 |
| Molecular Formula: | C23 H25 N5 O S2 |
| Smiles: | Cc1cccc(c1)n1c2c(c(C)n1)sc(n2)N1CCCN(CC1)C(c1c(C)ccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1567 |
| logD: | 5.1567 |
| logSw: | -4.9756 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 46.097 |
| InChI Key: | UJSYUSNGPWSPEX-UHFFFAOYSA-N |