8-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
8-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
8-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0872 |
| Compound Name: | 8-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C23 H29 N5 O3 |
| Smiles: | CCn1c(C)c(cn1)C(N1CCC2C(N(CC(N2CC1)=O)Cc1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1761 |
| logD: | 1.1761 |
| logSw: | -1.9762 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.015 |
| InChI Key: | UZQFHIFEFYEZLX-FQEVSTJZSA-N |