2-[(3-methylphenyl)methyl]-8-(thiophene-2-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-8-(thiophene-2-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-[(3-methylphenyl)methyl]-8-(thiophene-2-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0445 |
| Compound Name: | 2-[(3-methylphenyl)methyl]-8-(thiophene-2-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 419.56 |
| Molecular Formula: | C20 H25 N3 O3 S2 |
| Smiles: | Cc1cccc(CN2CCN3CCN(CCC3C2=O)S(c2cccs2)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4779 |
| logD: | 2.4778 |
| logSw: | -2.6341 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.883 |
| InChI Key: | PKODNZIRZLAIEF-GOSISDBHSA-N |