9-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0734 |
| Compound Name: | 9-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | Cc1cccc(CN2CCN3CCCN(CC3C2=O)S(c2c(C)noc2C)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4215 |
| logD: | 1.4214 |
| logSw: | -2.3692 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.837 |
| InChI Key: | OWLKHXJNJZYFET-IBGZPJMESA-N |