5-(4-ethylphenyl)-3-[4-(methoxyacetyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(4-ethylphenyl)-3-[4-(methoxyacetyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
5-(4-ethylphenyl)-3-[4-(methoxyacetyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0430 |
| Compound Name: | 5-(4-ethylphenyl)-3-[4-(methoxyacetyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Smiles: | CCc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCCN(CC1)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0965 |
| logD: | 2.0965 |
| logSw: | -2.4606 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.086 |
| InChI Key: | RGJOPPLIBGAQLT-UHFFFAOYSA-N |