3-{4-[(3-fluorophenyl)acetyl]-1,4-diazepan-1-yl}-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-{4-[(3-fluorophenyl)acetyl]-1,4-diazepan-1-yl}-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-{4-[(3-fluorophenyl)acetyl]-1,4-diazepan-1-yl}-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0108 |
| Compound Name: | 3-{4-[(3-fluorophenyl)acetyl]-1,4-diazepan-1-yl}-4-methyl-5-phenyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 441.52 |
| Molecular Formula: | C23 H24 F N3 O3 S |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCCN(CC1)C(Cc1cccc(c1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3425 |
| logD: | 3.3425 |
| logSw: | -3.6343 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.39 |
| InChI Key: | CATBFCDBFJAYQK-UHFFFAOYSA-N |