3-[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0072 |
| Compound Name: | 3-[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCCN(CC1)C(c1cc(C)ccc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8755 |
| logD: | 3.8755 |
| logSw: | -3.8109 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.917 |
| InChI Key: | XTNHTUQZCCKMNL-UHFFFAOYSA-N |