9-(4-ethoxybenzene-1-sulfonyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(4-ethoxybenzene-1-sulfonyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(4-ethoxybenzene-1-sulfonyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0461 |
| Compound Name: | 9-(4-ethoxybenzene-1-sulfonyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C19 H29 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)S(N1CCCN2CCN(CCOC)C(C2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9306 |
| logD: | 0.9297 |
| logSw: | -2.3481 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.515 |
| InChI Key: | GBTGYCMATXFIHR-SFHVURJKSA-N |