3-[(4-chlorophenyl)methyl]-8-nitro-N-[2-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-8-nitro-N-[2-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-chlorophenyl)methyl]-8-nitro-N-[2-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V012-8265 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-8-nitro-N-[2-(thiophen-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 511.04 |
| Molecular Formula: | C26 H27 Cl N4 O3 S |
| Salt: | not_available |
| Smiles: | C(CNC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)[Cl])[N+]([O-])=O)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4912 |
| logD: | 3.9967 |
| logSw: | -4.7287 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.738 |
| InChI Key: | CBKKBYYAIZAZNW-UHFFFAOYSA-N |