4-methyl-5-phenyl-3-{4-[(pyridin-3-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
4-methyl-5-phenyl-3-{4-[(pyridin-3-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-5-phenyl-3-{4-[(pyridin-3-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0120 |
| Compound Name: | 4-methyl-5-phenyl-3-{4-[(pyridin-3-yl)acetyl]-1,4-diazepan-1-yl}-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCCN(CC1)C(Cc1cccnc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8874 |
| logD: | 1.8788 |
| logSw: | -1.7064 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.908 |
| InChI Key: | GSXRWDOBWDLNHA-UHFFFAOYSA-N |