9-(2-ethylbenzene-1-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(2-ethylbenzene-1-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(2-ethylbenzene-1-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0773 |
| Compound Name: | 9-(2-ethylbenzene-1-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C24 H31 N3 O3 S |
| Smiles: | CCc1ccccc1S(N1CCCN2CCN(Cc3cccc(C)c3)C(C2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3582 |
| logD: | 3.3582 |
| logSw: | -3.524 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.799 |
| InChI Key: | OKLIJDPFQSZMTF-QFIPXVFZSA-N |