9-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
9-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
9-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | SD67-0613 |
| Compound Name: | 9-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C21 H23 F N4 O3 S |
| Smiles: | Cc1c(C(N2CCCN3C(C2)C(N(CC3=O)Cc2ccc(cc2)F)=O)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3168 |
| logD: | 1.3167 |
| logSw: | -2.1992 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.412 |
| InChI Key: | NHWZFXHGGYIAIK-KRWDZBQOSA-N |