9-(3-fluoro-4-methylbenzene-1-sulfonyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(3-fluoro-4-methylbenzene-1-sulfonyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(3-fluoro-4-methylbenzene-1-sulfonyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0378 |
| Compound Name: | 9-(3-fluoro-4-methylbenzene-1-sulfonyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 399.48 |
| Molecular Formula: | C18 H26 F N3 O4 S |
| Smiles: | Cc1ccc(cc1F)S(N1CCCN2CCN(CCOC)C(C2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2179 |
| logD: | 1.2169 |
| logSw: | -2.3876 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.391 |
| InChI Key: | ZFRWTYWWKMENKV-KRWDZBQOSA-N |