5-(4-fluorophenyl)-3-[4-(methoxyacetyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(4-fluorophenyl)-3-[4-(methoxyacetyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
5-(4-fluorophenyl)-3-[4-(methoxyacetyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0170 |
| Compound Name: | 5-(4-fluorophenyl)-3-[4-(methoxyacetyl)-1,4-diazepan-1-yl]-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 395.45 |
| Molecular Formula: | C18 H22 F N3 O4 S |
| Smiles: | CC1=C(c2ccc(cc2)F)S(N=C1N1CCCN(CC1)C(COC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1949 |
| logD: | 1.1949 |
| logSw: | -2.2173 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.086 |
| InChI Key: | IWIINWGTHYRFBO-UHFFFAOYSA-N |