4-methyl-3-{4-[(2-methyl-1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
4-methyl-3-{4-[(2-methyl-1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-3-{4-[(2-methyl-1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0257 |
| Compound Name: | 4-methyl-3-{4-[(2-methyl-1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | CC1=C(c2ccc(C)cc2)S(N=C1N1CCCN(CC1)C(Cn1ccnc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5785 |
| logD: | 0.5534 |
| logSw: | -2.3336 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.948 |
| InChI Key: | ZNIKCLSXWOZWQL-UHFFFAOYSA-N |