8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0832 |
| Compound Name: | 8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | Cc1cccc(CN2CC(N3CCN(CCC3C2=O)C(c2c(C)nc(C)s2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0143 |
| logD: | 2.0143 |
| logSw: | -2.4265 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.479 |
| InChI Key: | IJJXHMLZYBQPEB-GOSISDBHSA-N |