3-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(4-ethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(4-ethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(4-ethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0433 |
| Compound Name: | 3-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(4-ethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 431.6 |
| Molecular Formula: | C23 H33 N3 O3 S |
| Smiles: | CCc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCCN(CC1)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4079 |
| logD: | 4.4079 |
| logSw: | -4.1369 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.662 |
| InChI Key: | ZPRKOPFPOYVUTB-UHFFFAOYSA-N |