2-[(3-methylphenyl)methyl]-8-(5-methylthiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-8-(5-methylthiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-[(3-methylphenyl)methyl]-8-(5-methylthiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0437 |
| Compound Name: | 2-[(3-methylphenyl)methyl]-8-(5-methylthiophene-2-carbonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | Cc1cccc(CN2CCN3CCN(CCC3C2=O)C(c2ccc(C)s2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3435 |
| logD: | 3.342 |
| logSw: | -3.4232 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.821 |
| InChI Key: | HDBVTEOPDXMZSY-LJQANCHMSA-N |