3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-2-methyl-5-(4-methylphenyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-2-methyl-5-(4-methylphenyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-2-methyl-5-(4-methylphenyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0201 |
| Compound Name: | 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-2-methyl-5-(4-methylphenyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | Cc1ccc(cc1)C1C=C(C(N2CCN(CC2)C(C(C)(C)C)=O)=O)N(C)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4093 |
| logD: | 2.4093 |
| logSw: | -2.5839 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.603 |
| InChI Key: | KAXZCNKBIGEMJQ-UHFFFAOYSA-N |