3-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
3-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0225 |
| Compound Name: | 3-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C22 H31 N3 O3 S |
| Smiles: | CC1=C(c2ccc(C)cc2)S(N=C1N1CCCN(CC1)C(CC(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9006 |
| logD: | 3.9006 |
| logSw: | -3.8656 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.662 |
| InChI Key: | ALPGLDOLNMYXRG-UHFFFAOYSA-N |