5-(4-fluorophenyl)-4-methyl-3-{4-[(pyridin-3-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(4-fluorophenyl)-4-methyl-3-{4-[(pyridin-3-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione
5-(4-fluorophenyl)-4-methyl-3-{4-[(pyridin-3-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0182 |
| Compound Name: | 5-(4-fluorophenyl)-4-methyl-3-{4-[(pyridin-3-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C22 H23 F N4 O3 S |
| Smiles: | CC1=C(c2ccc(cc2)F)S(N=C1N1CCCN(CC1)C(Cc1cccnc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0215 |
| logD: | 2.013 |
| logSw: | -1.8117 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.908 |
| InChI Key: | JAPKMJJMEFUFTJ-UHFFFAOYSA-N |