3-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V003-6793 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 471 |
| Molecular Formula: | C25 H31 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CCNC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)[Cl])[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6251 |
| logD: | 4.1306 |
| logSw: | -4.7602 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.991 |
| InChI Key: | RWBHFHDWBSSXGJ-UHFFFAOYSA-N |