8-[3-(1,3-benzothiazol-2-yl)propanoyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-[3-(1,3-benzothiazol-2-yl)propanoyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-[3-(1,3-benzothiazol-2-yl)propanoyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0065 |
| Compound Name: | 8-[3-(1,3-benzothiazol-2-yl)propanoyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C18 H22 N4 O2 S |
| Smiles: | C1CN(CCN2CCNC(C12)=O)C(CCc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0319 |
| logD: | 0.9398 |
| logSw: | -2.0267 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.145 |
| InChI Key: | NMNWOQINMSEAJH-CQSZACIVSA-N |