5-(4-fluorophenyl)-4-methyl-3-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(4-fluorophenyl)-4-methyl-3-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
5-(4-fluorophenyl)-4-methyl-3-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0171 |
| Compound Name: | 5-(4-fluorophenyl)-4-methyl-3-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C19 H24 F N3 O3 S |
| Smiles: | CC(C)C(N1CCCN(CC1)C1C(C)=C(c2ccc(cc2)F)S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6808 |
| logD: | 2.6808 |
| logSw: | -2.8768 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.189 |
| InChI Key: | INTDJXZBMFNDBE-UHFFFAOYSA-N |