9-(thiophene-2-carbonyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(thiophene-2-carbonyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(thiophene-2-carbonyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0016 |
| Compound Name: | 9-(thiophene-2-carbonyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 279.36 |
| Molecular Formula: | C13 H17 N3 O2 S |
| Smiles: | C1CN2CCNC(C2CN(C1)C(c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3129 |
| logD: | 0.2821 |
| logSw: | -2.0371 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.408 |
| InChI Key: | ZKUOOUWWXYFYGJ-JTQLQIEISA-N |