1-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}-3-phenylbutan-1-one
Chemical Structure Depiction of
1-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}-3-phenylbutan-1-one
1-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}-3-phenylbutan-1-one
Compound characteristics
| Compound ID: | Z301-0541 |
| Compound Name: | 1-{4-[3-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}-3-phenylbutan-1-one |
| Molecular Weight: | 473.64 |
| Molecular Formula: | C27 H31 N5 O S |
| Smiles: | CC(CC(N1CCCN(CC1)c1nc2c(c(C)nn2c2cccc(C)c2)s1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8968 |
| logD: | 5.8968 |
| logSw: | -5.4385 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 44.551 |
| InChI Key: | QHFGYTFCSKAESA-FQEVSTJZSA-N |