9-(cyclopentanecarbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(cyclopentanecarbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(cyclopentanecarbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0696 |
| Compound Name: | 9-(cyclopentanecarbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 369.51 |
| Molecular Formula: | C22 H31 N3 O2 |
| Smiles: | Cc1cccc(CN2CCN3CCCN(CC3C2=O)C(C2CCCC2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7732 |
| logD: | 2.7672 |
| logSw: | -2.7265 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.294 |
| InChI Key: | QEVVVWFDAAKCHA-FQEVSTJZSA-N |