8-nitro-N-(1-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
8-nitro-N-(1-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxamide
8-nitro-N-(1-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V012-6400 |
| Compound Name: | 8-nitro-N-(1-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C22 H25 N3 O3 |
| Smiles: | CC(c1ccccc1)NC(C1Cc2cc(ccc2N2CCCCC12)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6006 |
| logD: | 3.6006 |
| logSw: | -3.8136 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.568 |
| InChI Key: | PBUSDTBIYYQWGU-UHFFFAOYSA-N |