3-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-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-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V012-8276 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 506.99 |
| Molecular Formula: | C27 H27 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)NC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)[Cl])[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.949 |
| logD: | 4.4932 |
| logSw: | -5.0806 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.1 |
| InChI Key: | TXIGGNIYIVMSMX-UHFFFAOYSA-N |