2-{[4-(azepane-1-carbonyl)phenyl]methyl}-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1,3(2H)-trione
Chemical Structure Depiction of
2-{[4-(azepane-1-carbonyl)phenyl]methyl}-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1,3(2H)-trione
2-{[4-(azepane-1-carbonyl)phenyl]methyl}-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1,3(2H)-trione
Compound characteristics
| Compound ID: | C797-1332 |
| Compound Name: | 2-{[4-(azepane-1-carbonyl)phenyl]methyl}-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1,3(2H)-trione |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C26 H30 N2 O4 S |
| Smiles: | CC1=C(c2ccc(C)c(C)c2)S(N(Cc2ccc(cc2)C(N2CCCCCC2)=O)C1=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3173 |
| logD: | 4.3173 |
| logSw: | -4.2046 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.163 |
| InChI Key: | SCINBHNWRKVLNB-UHFFFAOYSA-N |