ethyl 4-{3-[(4-chlorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[(4-chlorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl}piperazine-1-carboxylate
ethyl 4-{3-[(4-chlorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | V003-6825 |
| Compound Name: | ethyl 4-{3-[(4-chlorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 542.03 |
| Molecular Formula: | C27 H32 Cl N5 O5 |
| Salt: | not_available |
| Smiles: | CCOC(N1CCN(CC1)C(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7532 |
| logD: | 3.1969 |
| logSw: | -4.3452 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.894 |
| InChI Key: | QEBSISWVCBIRIE-UHFFFAOYSA-N |