8-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-(2-methylpropyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
8-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-(2-methylpropyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
8-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-(2-methylpropyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0665 |
| Compound Name: | 8-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-(2-methylpropyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | CC(C)CN1CC(N2CCN(CCC2C1=O)C(CCc1nc2ccccc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0996 |
| logD: | 2.0996 |
| logSw: | -2.453 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.05 |
| InChI Key: | CAVUPHQMPPUVQA-QGZVFWFLSA-N |