5-(3,4-dimethylphenyl)-4-methyl-3-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(3,4-dimethylphenyl)-4-methyl-3-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
5-(3,4-dimethylphenyl)-4-methyl-3-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0305 |
| Compound Name: | 5-(3,4-dimethylphenyl)-4-methyl-3-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C21 H29 N3 O3 S |
| Smiles: | CC(C)C(N1CCCN(CC1)C1C(C)=C(c2ccc(C)c(C)c2)S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5728 |
| logD: | 3.5728 |
| logSw: | -3.6885 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.189 |
| InChI Key: | WKGMDPAVYYIDKP-UHFFFAOYSA-N |