3-(azepan-1-yl)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-(azepan-1-yl)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
3-(azepan-1-yl)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-0008 |
| Compound Name: | 3-(azepan-1-yl)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 318.44 |
| Molecular Formula: | C17 H22 N2 O2 S |
| Smiles: | CC1=C(c2ccc(C)cc2)S(N=C1N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8603 |
| logD: | 3.8603 |
| logSw: | -3.822 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.461 |
| InChI Key: | LCUJIXIRWCZQRL-UHFFFAOYSA-N |