N-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1,4-dioxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1,4-dioxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide--hydrogen chloride (1/1)
N-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1,4-dioxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S993-0870 |
| Compound Name: | N-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1,4-dioxooctahydropyrazino[1,2-d][1,4]diazepine-8(2H)-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 436.98 |
| Molecular Formula: | C22 H32 N4 O3 |
| Salt: | HCl |
| Smiles: | CC(C)CCNC(N1CCC2C(N(CC(N2CC1)=O)Cc1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4873 |
| logD: | 2.4873 |
| logSw: | -2.7144 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.346 |
| InChI Key: | BFQXSBJXJPMXID-IBGZPJMESA-N |